| Глава от книга |
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1
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Joanna Stoycheva, Julia Romanova, Milena Spassova, Alia Tadjer, Теоретични подходи за моделиране на фотоволтаични материали, стр. 115-149 в НИСКОВЪГЛЕРОДНА ЕНЕРГИЯ ЗА ТРАНСПОРТА
И БИТА (ЕПЛЮС), Поредица Критични анализи,
Съхранение и преобразуване на възобновяема енергия, ISBN:ISBN 978-619-245-087-8, Издателство на БАН „Проф. Марин Дринов“
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2020
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2
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J. Petrova, J. Romanova, G. Madjarova, A. Ivanova, A. Tadjer, Influence of the level of protonation on the geometry and the electronic structure of emeraldine oligomers in Piecuch P., Maruani J., Delgado-Barrio G., Wilson S. (eds) Advances in the Theory of Atomic and Molecular Systems. Progress in Theoretical Chemistry and Physics (2009) vol 20., pp 219-251, Springer, Dordrecht, Netherlands, ISSN (print):, ISSN (online):, Springer, Dordrecht, Рецензирано
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2009
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| Друго (научно-популярни и др. под.) |
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Цветан Захариев, Аля Витали Таджер, Как комбинацията от класическия и квантовия подход донесе Нобелова награда по химия, сп. Природа
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2013
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| Книга |
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N.Tyutyulkov, J.Fabian, A.Mehlhorn, F.Dietz, A. Tadjer, POLYMETHINE DYES / Structure and Properties, St.Kliment Ohridski University Press, Sofia
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1991
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| Научен проект |
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1
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Аля Таджер, Молекулно моделиране на свойствата на органични и биоорганични материали под влияние на средата, Ръководител,
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2023
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2
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Аля Таджер, Confined Molecular Systems: from a New Generation of Materials to the Stars (COSY), Член,
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2022
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3
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Аля Таджер, European Twinning on Materials Chemistry Enabling Clean Technologies, Член,
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2020
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4
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Аля Таджер, Синергизъм между катионни и анионни редокс реакции при материали с колосален интеркалационен капацитет (CARiM), Член, , Номер на договора:КП-06-ДВ-6/2019
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2019
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5
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Аля Таджер, ННП ЕПЛЮС: Нисковъглеродна енергия за транспорта и бита, Член,
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2018
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6
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Аля Таджер, Молекулно моделиране на HIV-инхибитори, Ръководител, , Номер на договора:ДНТС/Франкофония 01/1
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2017
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7
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Аля Таджер, ERASMUS, Член,
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2016
|
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8
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Аля Таджер, Materials Networking Project
H2020-TWINN--2015, Член,
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2016
|
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9
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Аля Таджер, Лекарствени вектори-бионосители: ефективност чрез разбиране, Член,
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2016
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10
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Аля Таджер, Молекулно моделиране на HIV-инхибитори , Ръководител,
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2016
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11
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Аля Таджер, Съвместна интеркалация на алкални и алкалоземни йони в дву- и тримерни структури: експерименталнo и теоретичнo моделиране, Член, , Номер на договора:ДН09/13 от 16.12.2016
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2016
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12
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Аля Таджер, Molecules in Motion, MOLIM (CM1405), Член,
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2015
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13
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Аля Таджер, BeyondEverest, Член, EC, Номер на договора:FP7-REGPOT-2011-1
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2012
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14
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Аля Таджер, Електрични и електрохимични свойства на течните повърхности, Член, МОМН, Номер на договора:ДВУ-90/2010
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2010
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15
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Аля Таджер, “Национален център за съвременни материали” , Член, МОНМ
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2008
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16
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Аля Таджер, ИЗЧИСЛИТЕЛЕН КОМПЛЕКС ЗА АВАНГАРДНИ ИЗСЛЕДВАНИЯ ПО МОЛЕКУЛЕН ДИЗАЙН, НОВИ МАТЕРИАЛИ И НАНОТЕХНОЛОГИИ, Член, МОМН, Номер на договора:ДО-02-52/2008
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2008
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17
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Аля Таджер, Интегриран Изследователски Център по Изчислителни науки в микросвета (IRC- CoSim), Член, МОМН, Номер на договора:ДО-02-136/2008
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2008
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18
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Аля Таджер, Обратими нанотранспортери през течни фазови граници, Ръководител, МОМН, Номер на договора:ДО-02-256/2008
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2008
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19
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Alia Tadjer, Student/Teacher Exchange, Член, СУ
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2007
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20
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Аля Таджер, „Полианилинът като компонент в широк спектър съвременни наноматериали – предизвикателство за теорията и експеримента”, Ръководител, МОНМ
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2006
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21
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Аля Таджер, „Систематично изследване на ВС, BNC и BCN клъстери, като градивни блокове на смесени ВС и BCN нанотръби”, Член, СУ
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2006
|
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22
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Аля Таджер, „Моделно изследване на механизма на интеркалиране с Li на анодни материали за Li йонни батерии”, Член, МОН
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2004
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23
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Аля Таджер, “Структура и диелектрични свойства на монослоевете – фактори за мониторинг на замърсители на водните басейни”, Ръководител, МОН
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2003
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24
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Аля Таджер, COST P12 “Structuring of Polymers” , Член, EC
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2003
|
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25
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Аля Таджер, “Теоретично изследване на неразтворими монослоеве на молекулно ниво”, Ръководител, СУ
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2002
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| Научно ръководство |
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1
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Аля Таджер, Молекулна организация на фазови граници, ФХФ-СУ дипломна работа:Яна Николаева Цонева
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2016
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2
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Аля Таджер, Моделирана E/Z фотоизомеризация на кандидат за молекулни логически елементи с охарактеризирани конични сечения, дипломна работа:Добромир Антонов Калчевски
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2015
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3
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Аля Таджер, Приложение на ONIOM подходи за моделиране на комплекси на кукурбит[n]урили, дипломна работа:Георги Лазаров Стойчев
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2015
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4
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Аля Таджер, Теоретично изследване на ролята на експлицитни водни молекули при моделирането на емералдинова сол, дипломна работа:Петя Живкова Георгиева
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2015
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5
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Аля Таджер, Квантово-химични изчисления на сребърни и медни клъстери като платформа за адсорбция на формиатни аниони, ФХФ-СУ дипломна работа:Росен Йорданов Монов
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2014
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6
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Аля Таджер, Молекулно моделиране на взаимодействие между леки алкални елементи и прототипи на дотирани графеноподобни материали, ФХФ-СУ дипломна работа:Георги Лазаров Стойчев
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2014
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7
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Аля Таджер, Молекулно-динамични симулации на хидратирани нейоногенни ПАВ, ФХФ-СУ дисертация д-р:Мария Емилова Велинова
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2012
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8
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Аля Таджер, Оптични свойства на донорно-акцепторни системи с късовълнови преходи, ФХФ-СУ дипломна работа:Георги Бойков Вълчанов
|
2012
|
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9
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Аля Таджер, Теоретично изследване на структура и оптични свойства на анилинови производни, ФХФ-СУ дисертация д-р:Жасмина Недкова Петрова
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2012
|
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10
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Аля Таджер, Моделиране на ефекта на обкръжението при полианилинови олигомери, дипломна работа:Петя Живкова Георгиева
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2011
|
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11
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Аля Таджер, Оценка на склонността към агрегиране на С12Е3 чрез молекулно моделиране на мономери и димери в разтвор, ФХФ-СУ дипломна работа:Цветан Красимиров Захариев
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2011
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12
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Аля Таджер, Теоретична оценка на структурни параметри на димери от C12E4 в разредени водни разтвори, ФХФ-СУ дипломна работа:Яна Николаева Цонева
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2011
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13
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Аля Таджер, Теоретично изследване на серия стабилни органични радикали и спин-хибридни комплекси на Cu(II), ФХФ-СУ дипломна работа:Силвия Иванова Нинова
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2011
|
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14
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Аля Таджер, Влияние на средата върху геометрията, електронната структура и магнитните свойства на полианилин, ФХФ-СУ дисертация д-р:Юлия Русланова Романова
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2010
|
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15
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Аля Таджер, Влияние на средата върху геометрията, електронната структура и магнитните свойства на полианилин, ФХФ-СУ дисертация д-р:Юлия Русланова Романова
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2010
|
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16
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Аля Таджер, Теоретичен подход към дизайна на спин-хибридни комплекси на Cu(II), ФХФ-СУ дипломна работа:Цвета Димитрова Митева
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2010
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17
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Аля Таджер, Теоретично моделиране на неразтворими монослоеве – структура, организация и електрооптични свойства, ФХФ-СУ дисертация д-р:Станислав Ангелов Цветанов
|
2010
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| Редактор на издание реферирано |
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Alia Tadjer, Progress in Theoretical Chemistry and Physics, vol 30, Редактор на издание реферирано
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2016
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| Статия в научно списание |
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1
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Rositsa Kukeva, Georgi Vassilev, Mariya Kalapsazova, Hristo Rasheev, Alia Tadjer, Svetlana Simova, Radostina Stoyanova, Electrochemical oxidation and reduction of sodium electrolytes tracked by in-situ/ex-situ magnetic resonance spectroscopy and computational modelling, Electrochimica Acta, vol:526, 2025, pages:146191-0, Ref, IF (5.5 - 2023), Web of Science Quartile: Q1 (2025), SCOPUS, SJR (1.106 - 2024), SCOPUS Quartile: Q1 (2025), MSc
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2025
|
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2
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Delyana Marinova, Lyuben Borislavov, Stanimir Stoyanov, Yulian Zagranyarski, Monika Mutovska, Natali Simeonova, Yanislav Danchovski, Hristo Rasheev, Alia Tadjer, Radostina Stoyanova, peri-Diselenolo-substituted 1,8-naphthalimide derivatives as bipolar matrices for redox reactions in a non-aqueous electrolyte
, Materials Advances, vol:6, issue:2, 2025, pages:788-804, doi:https://doi.org/10.1039/D4MA01042F , Ref, Web of Science, IF (5.2 - 2023), Web of Science Quartile: Q2 (MATERIALS SCIENCE, MULTIDISCIPLINARY), SCOPUS, SJR (1.115 - 2024), SCOPUS Quartile: Q1 (Chemistry (miscellaneous), International, MSc
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2025
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3
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Nikolay Petkov, Alia Tadjer, Elzhana Encheva, Zara Cherkezova-Zheleva, Daniela Peneva, Radostina Stoyanova, Rositsa Kukeva, Petar Dorkov, Ivayla Pantcheva, Experimental and DFT Study of Monensinate and Salinomycinate Complexes Containing {Fe3(µ3–O)}7+ Core, Molecules, vol:29, issue:2, 2024, pages:364-0, doi:10.3390/molecules29020364, Ref, Web of Science, IF (4.2 - 2023), Web of Science Quartile: Q2 (2024), SCOPUS, SJR (0.74 - 2023), SCOPUS Quartile: Q1 (2024)
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2024
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4
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Nikolay Petkov, Alia Tadjer, Zara Cherkezova-Zheleva, Daniela Paneva, Radostina Stoyanova, Rositsa Kukeva, Petar Dorkov, Ivayla Pantcheva, Synthesis, Spectral Characterization, and Structural Modelling of Di- and Trinuclear Iron(III) Monensinates with Different Bridging Patterns, Inorganics, vol:12, issue:4, 2024, pages:114-0, doi:10.3390/inorganics12040114, Ref, Web of Science, IF (3.1 - 2023), Web of Science Quartile: Q2 (2024), SCOPUS, SJR (0.468 - 2023), SCOPUS Quartile: Q3 (2024)
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2024
|
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5
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Rositsa Kukeva, Mariya Kalapsazova, Hristo Rasheev, Georgi Vassilev, Alia Tadjer, Radostina Stoyanova, In Situ Electron Paramagnetic Resonance Monitoring of Predegradation Radical Generation in a Lithium Electrolyte, J. Phys. Chem. Lett., vol:14, issue:43, 2023, pages:9633-9639, doi:10.1021/acs.jpclett.3c02374, Ref, Web of Science, IF (5.7 - 2022), Web of Science Quartile: Q1 (2023), SCOPUS, SJR (1.85 - 2022), SCOPUS Quartile: Q1 (2023), MSc
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2023
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6
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Ilia Kichev, Lyuben Borislavov, Alia Tadjer, Radostina Stoyanova, Machine Learning Prediction of the Redox Activity of Quinones, Materials , vol:16, 2023, pages:6687-0, doi:10.3390/ma16206687, Ref, Web of Science, IF (3.47 - 2022), Web of Science Quartile: Q2 (2023), SCOPUS, SJR (0.56 - 2022), SCOPUS Quartile: Q2 (2023), MSc
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2023
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7
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Lyuben Borislavov, Miroslava Nedyalkova, Alia Tadjer, O. Aydemir, Julia Romanova, Machine Learning-Based Screening for Potential Singlet Fission Chromophores: The Challenge of Imbalanced Data Sets, J. Phys. Chem. Lett, vol:14, 2023, pages:10103-10112, doi:10.1021/acs.jpclett.3c02365, Ref, Web of Science, IF (5.7 - 2022), Web of Science Quartile: Q1 (2023), SCOPUS, SJR (1.85 - 2022), SCOPUS Quartile: Q1 (2023), International
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2023
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8
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Ivayla Pantcheva, Radoslava Stamboliyska, Nikolay Petkov, Alia Tadjer, Svetlana Simova, Radostina Stoyanova, Rositza Kukeva, Petar Dorkov, Dinuclear vs. Mononuclear Copper(II) Coordination Species of Tylosin and Tilmicosin in Non-Aqueous Solutions, Molecules, vol:27, issue:12, 2022, Ref, IR , SCOPUS, SJR (0.705 - 2021), SCOPUS Quartile: Q2 (2022)
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2022
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9
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Yanislav Danchovski, Hristo Rasheev, Radostina Stoyanova, Alia Tadjer, Molecular Engineering of Quinone-Based Nickel Complexes and Polymers for All-Organic Li-Ion Batteries, Molecules, vol:27, issue:20, 2022, Ref, Web of Science, IF (4.6 - 2022), Web of Science Quartile: Q2 (2022), SCOPUS, SJR (0.705 - 2021), SCOPUS Quartile: Q2 (2022), MSc
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2022
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10
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Pantcheva I., R. Stamboliyska, N. Petkov, A. Tadjer, S. Simova, R. Stoyanova, R. Kukeva, P. Dorkov, Mononuclear copper(II) complexes of the macrolide antibiotics tylosin and tilmicosin, Trans. Metal Chem. , vol:47, issue:1, 2022, pages:67-76, Ref, IR , SCOPUS, SJR (0.251 - 2020), SCOPUS Quartile: Q3 (2022), PhD
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2022
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11
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Lyuben Borislavov, Zhivko Velkov, Alia Tadjer, pH DEPENDENT RADICAL-SCAVENGING PROPENSITY OF MONOHYDROXYCINNAMIC ACIDS, Journal of Chemical Technology and Metallurgy, vol:57, issue:4, 2022, pages:741-753, Ref, IR , SCOPUS, SJR (0.253 - 2021), SCOPUS Quartile: Q3 (2022)
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2022
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12
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Hristo Rasheev, Agnieszka Seremak, Radostina Stoyanova, Alia Tadjer, Redox Hyperactive MOF for Li+, Na+ and Mg2+ Storage, Molecules, vol:27, issue:3, 2022, pages:586-0, doi:10.3390/molecules27030586, Ref, Web of Science, IF (4.6 - 2022), Web of Science Quartile: Q2 (2022), SCOPUS, SJR (0.71 - 2021), SCOPUS Quartile: Q2 (2022), International, PhD, MSc
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2022
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13
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Hristo Rasheev, Radostina Stoyanova, Alia Tadjer, Dual-Metal Electrolytes for Hybrid-Ion Batteries: Synergism or Antagonism?, ChemPhysChem, vol:22, issue:11, 2021, pages:1110-1123, doi:10.1002/cphc.202100066, Ref, IR , SCOPUS, SJR (0.81 - 2021), SCOPUS Quartile: Q1 (2021), PhD
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2021
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14
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Hristo Rasheev, Radostina Stoyanova, Alia Tadjer, Rivalry at the Interface: Ion Desolvation and Electrolyte Degradation in Model Ethylene Carbonate Complexes of Li+, Na+, and Mg2+ with PF6- on the Li4Ti5O12 (111) Surface, ACS Omega, vol:6, issue:44, 2021, pages:29735-29745, doi:10.1021/acsomega.1c04161, Ref, IR , SCOPUS, SJR (0.71 - 2021), SCOPUS Quartile: Q1 (2021), PhD
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2021
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15
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Vaska Petakova, Miroslava Nedyalkova, Joanna Stoycheva, Alia Tadjer, Julia Romanova, The interplay between diradical character and stability in organic molecules, Symmetry, vol:13, issue:8, 2021, doi: https://doi.org/10.3390/sym13081448, Ref, IF, IF (2.713 - 2020), SCOPUS, SJR ( - 2020), SCOPUS Quartile: Q2 (Chemistry), PhD
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2021
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16
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Joanna Stoycheva, Julia Romanova, Alia Tadjer, Women in the Singlet Fission World: Pearls in a Semi-Open Shell, MDPI-Molecules, vol:Special Issue "Women in Physical Chemistry", issue:26, 2021, pages:2922-0, doi:https://www.mdpi.com/1420-3049/26/10/2922, Ref, IF, IF (4.411 - 2020), SCOPUS, SJR ( - 2020), SCOPUS Quartile: Q1 (Chemistry), PhD
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2021
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17
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Joanna Stoycheva, Alia Tadjer, Marco Garavelli, Milena Spassova, Artur Nenov, Julia Romanova, Boron-doped polycyclic aromatic hydrocarbons: A molecular set revealing the interplay between topology and singlet fission propensity, Journal of Physical Chemistry Letters, vol:11, issue:4, 2020, pages:1390-1396, doi:10.1021/acs.jpclett.9b03406, Ref, IR , SCOPUS, SJR (2.976 - 2019), SCOPUS Quartile: Q1 (2020), International, MSc
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2020
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18
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Hristo G. Rasheev, Rafael B. Araujo, Alia Tadjer, Patrik Johansson, Fundamental promise of anthraquinone functionalized graphene based next generation battery electrodes: A DFT study, Journal of Materials Chemistry A, vol:8, 2020, pages:14152-14161, doi:10.1039/d0ta04780e, Ref, IR , SCOPUS, SJR (3.432 - 2019), SCOPUS Quartile: Q1 (2020), International, PhD
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2020
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19
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Lyuben Borislavov, Zhivko Velkov, Alia Tadjer, Topology delimited radical‐scavenging propensity of monohydroxycinnamic acids, International Journal of Quantum Chemistry, vol:120, issue:22, 2020, pages:1-9, ISSN (print):0020-7608, doi:10.1002/qua.26329, Ref, IR , SCOPUS, SJR (0.484 - 2019), SCOPUS Quartile: Q2 (2020)
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2020
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20
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Mariya Kalapsazova, Hristo Rasheev, Ekaterina Zhecheva, Alia Tadjer, Radostina Stoyanova, Insights into the Function of Electrode and Electrolyte Materials in a Hybrid Lithium–Sodium Ion Cell, Journal of Physical Chemistry C, vol:123, issue:18, 2019, pages:11508-11521, doi:10.1021/acs.jpcc.9b01993, Ref, IR , SCOPUS, SJR (1.477 - 2019), SCOPUS Quartile: Q1 (2019), PhD
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2019
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21
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Ismail Hdoufane, JoannaStoycheva, Alia Tadjer, Didier Villemin, Menče Najdoska-Bogdanov, Jane Bogdanov, Driss Cherqaoui, QSAR and molecular docking studies of indole-based analogs as HIV-1 attachment inhibitors, Journal of Molecular Structure, vol:1193, 2019, pages:429-443, Ref, IR , SCOPUS, SJR (0.45 - 2019), International, PhD, MSc
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2019
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22
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Zhivko Velkov, Metodi Traykov, Ivan Trenchev, Luciano Saso, Alia Tadjer, Topology-Dependent Dissociation Mode of the O-H Bond in Monohydroxycoumarins, Journal of Physical Chemistry A, vol:123, issue:24, 2019, pages:5106-5113, doi:10.1021/acs.jpca.9b00535, Ref, IR , SCOPUS, SJR (0.749 - 2019), SCOPUS Quartile: Q2 (2019), International
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2019
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23
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Dobromir Kalchevski, Vesselin Petrov, Alia Tadjer, Artur Nenov, Impacts of hydroxylation on the photophysics of chalcones: Insights into the relation between the chemical composition and the electronic structure, Physical Chemistry Chemical Physics, vol:20, issue:13, 2018, pages:8924-8934, doi:10.1039/C8CP00602D, Ref, IR , SCOPUS, SJR (1.143 - 2018), SCOPUS Quartile: Q1 (2018), International, MSc
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2018
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24
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Ismail Hdoufane, Imane Bjij, Mahmoud Soliman, Alia Tadjer, Didier Villemin, Jane Bogdanov, Driss Cherqaoui, In Silico SAR Studies of HIV-1 Inhibitors
, Pharmaceuticals, vol:11, issue:3, 2018, pages:69-0, doi:10.3390/ph11030069, Ref, IR , SCOPUS, SJR (1.209 - 2018), SCOPUS Quartile: Q1 (2018), International
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2018
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25
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Jasmina Petrova, Anela Ivanova, Alia Tadjer, Density Functional Theory Assessment of the Environment Polarity Effect
on Polyaniline-Water Coupling
, The Journal of Physical Chemistry A, том:121, брой:33, 2017, стр.:6327-6335, doi:10.1021/acs.jpca.7b04663, Ref, Web of Science
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2017
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26
|
Yana Tsoneva, Alia Tadjer, Tsonka Mineva, NMR characterization of dilauroyl phosphatidylcholine in adsorbed monolayers at fluid interfaces studied by multiscale computations, International Journal of Quantum Chemistry, 2016, doi:DOI 10.1002/qua.25198, Ref, Web of Science, в сътрудничество с чуждестранни учени, PhD
|
2016
|
|
27
|
D. Elenkova, R. Monov, A. Tadjer, I. Manolov, M. Milanova, Synthesis and characterization of terbium(III) complexes with the biscoumarin derivative 3,3′-[(4-hydroxyphenyl)methyl]bis-(4-hydroxy-2H-chromen-2-one) , Journal of Molecular Structure , том:1106, 2016, стр.:491-500, Ref, Web of Science, IF ( - 2014), Web of Science Quartile: Q3 (2016), SCOPUS, SJR ( - 2014), SCOPUS Quartile: Q3 (2016), PhD
|
2016
|
|
28
|
Tzvetan Zahariev, Alia Tadjer, Anela Ivanova, Transfer of non-ionic surfactants across the water-oil interface: A molecular dynamics study, Colloids and Surfaces A, том:506, 2016, стр.:20-31, Ref, Web of Science, PhD
|
2016
|
|
29
|
Georgi Valchanov, Anela Ivanova, Alia Tadjer, Dennis Chercka, Martin Baumgarten, Understanding the Fluorescence of TADF Light-Emitting Dyes, Journal of Physical Chemistry A, том:120, брой:35, 2016, стр.:6944-6955, doi:10.1021/acs.jpca.6b06680, Ref, Web of Science, в сътрудничество с чуждестранни учени, MSc
|
2016
|
|
30
|
Y. Tsoneva, H. Jonker, M. Wagner, A. Tadjer, M. Lelle, K. Peneva, A. Ivanova, Molecular Structure and Pronounced Conformational Flexibility of Doxorubicin in Free and Conjugated State within a Drug-Peptide Compound, J. Phys. Chem. B, том:119, 2015, стр.:3001-3013, doi:10,1021/jp509320q, Ref, Web of Science, в сътрудничество с чуждестранни учени, PhD
|
2015
|
|
31
|
Tsvetan K. Zahariev, Radomir I. Slavchov, Alia V. Tadjer, Anela N. Ivanova, Fully Atomistic Molecular-Mechanical Model of Liquid Alkane Oils: Computational Validation, J. Comput. Chem., том:35, 2014, стр.:776-788, Ref, Web of Science, PhD
|
2014
|
|
32
|
Yana Tsoneva, Alia Tadjer, Атомистични водни модели, Bulgarian Journal for Chemistry , том:3, 2014, стр.:65-93, PhD
|
2014
|
|
33
|
M. Velinova, N. Ilkova, A. Tadjer, Conformation of arenicin AMPs at a polar/nonpolar interface, Nanoscience and Nanotechnology, том:13, 2013, стр.:20-25, Ref, Web of Science, MSc
|
2013
|
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34
|
A. Ivanova, J. Romanova, A. Tadjer, M. Baumgarten, Magnetostructural correlation for rational design of Mn(II) hybrid-spin complexes, Journal of Physical Chemistry A, том:117, 2013, стр.:670-678, Ref, IF, IF (3.033 - 2013), SCOPUS, SJR ( - 2013), SCOPUS Quartile: Q1 (Physical and theoretical chemistry), в сътрудничество с чуждестранни учени
|
2013
|
|
35
|
T. Zahariev, A. Ivanova, M. Velinova, A. Tadjer, Structure and Aggregation Proclivity of C12E3 in Aqueous Solution., Chemical Physics, том:410, 2013, стр.:1-8, Ref, Web of Science, PhD
|
2013
|
|
36
|
T. Todorova, Z. Velikov, A. Tadjer, Structure of flavones and flavonoles. Part I: Role of substituents on the planarity of the system., Computational and Theoretical Chemistry, том:1017, 2013, стр.:85-90, doi:doi.org/10.1016/j.comptc.2013.05.005, Ref, Web of Science
|
2013
|
|
37
|
G. Valchanov, A. Ivanova, A. Tadjer, D. Chercka, M. Baumgarten, Tuning the Optical Absorption of Potential Blue Emitters., Organic Electronics, том:14, 2013, стр.:2727-2736, Ref, Web of Science, в сътрудничество с чуждестранни учени, MSc
|
2013
|
|
38
|
J. Petrova, J. Romanova, G. Madjarova, A. Ivanova, A. Tadjer, Absorption Spectra of Model Single Chains of Conducting Polyaniline, The Journal of Physical Chemistry B, том:116, брой:22, 2012, стр.:6543-6552, doi:10.1021/jp301814u, Ref, IF, IF (3.607 - 2012), SCOPUS, SJR ( - 2012), SCOPUS Quartile: Q1 (Physical and theoretical chemistry), PhD
|
2012
|
|
39
|
M. Velinova, Y. Tsoneva, A. Ivanova, A. Tadjer, Estimation of the Mutual Orientation and Intermolecular Interaction of C12Ex from Molecular Dynamics Simulations, The Journal of Physical Chemistry B, том:116, брой:16, 2012, стр.:4879-4888, doi:dx.doi.org/10.1021/jp212047r, Ref, Web of Science, PhD, MSc
|
2012
|
|
40
|
J. Petrova, J. Romanova, G. Madjarova, A. Ivanova, A. Tadjer, Fully Doped Oligomers of Emeraldine Salt – Polaronic versus Bipolaronic Configuration, The Journal of Physical Chemistry B, том:115, 2011, стр.:3765-3776, ISSN (print):1520-6106, ISSN (online):1520-5207, doi: 10.1021/jp111914n, Ref, IF, IF (3.696 - 2011), SCOPUS, SJR ( - 2011), SCOPUS Quartile: Q1 (2011), PhD
|
2011
|
|
41
|
J. Romanova, G. Madjarova, A. Tadjer, N. Gospodinova, Solvent Polarity and Dopant Effect on the Electronic Structure of the Emeraldine Salt, International Journal of Quantum Chemistry , том:111, 2011, стр.:435-443, Ref, IF, IF (1.288 - 2011), SCOPUS, SJR ( - 2011), SCOPUS Quartile: Q3 (Physical and theoretical chemistry), в сътрудничество с чуждестранни учени, PhD
|
2011
|
|
42
|
M. Velinova, D. Sengupta, A. Tadjer, S.-J. Marrink, Sphere-to-Rod Transitions of Nonionic Surfactant Micelles in Aqueous Solution Modeled by Molecular Dynamics Simulations, Langmuir , том:27, 2011, стр.:14071-14077, doi:10.1021/la203055t, Ref, Web of Science, PhD
|
2011
|
|
43
|
M. Velinova, V. Georgiev, T. Todorova, G. Madjarova, A. Ivanova, A. Tadjer, Boron-nitrogen- and boron-substituted anthracenes and -phenanthrenes as models for doped carbon-based materials, Journal of Molecular Structure (THEOCHEM), том:955, 2010, стр.:97-108, doi:10.1016/j.theochem.2010.06.003, Ref, Web of Science, SCOPUS Quartile: Q2 (IF=1.288), PhD
|
2010
|
|
44
|
S. Tzvetanov, Ph. Shushkov, M. Velinova, A. Ivanova, A. Tadjer, Molecular dynamics study of the electric and dielectric properties of model DPPC and dicaprin insoluble monolayers – size effect., Langmuir, том:26, 2010, стр.:8093-8105, Ref, Web of Science, PhD, MSc
|
2010
|
|
45
|
J. Romanova, J. Petrova, A. Tadjer, N. Gospodinova, Polyaniline-Water Interactions: a Theoretical Investigation with the Polarisable Continuum Model, Synthetic Metals, том:160, 2010, стр.:1050-1054, Ref, Web of Science, SCOPUS, SJR ( - 2010), SCOPUS Quartile: Q2 (Electronic, optical and magnetic materials), PhD
|
2010
|
|
46
|
Ph. Shushkov, S. Tzvetanov, M. Velinova, A. Ivanova, A. Tadjer, Structural Aspects of Lipid Monolayers: Computer Simulation Analyses., Langmuir, том:26, 2010, стр.:8081-8092, Ref, Web of Science, PhD, MSc
|
2010
|
|
47
|
J. Romanova, J. Petrova, A. Ivanova, A. Tadjer, N. Gospodinova, Theoretical Study on the Emeraldine Salt - Impact of the Computational Protocol , Journal of Molecular Structure (THEOCHEM), том:954, 2010, стр.:36-44, Ref, IF, IF (1.659 - 2010), SCOPUS, SJR ( - 2010), SCOPUS Quartile: Q3 (2010), в сътрудничество с чуждестранни учени, PhD
|
2010
|
|
48
|
T. Miteva, J. Romanova, A. Ivanova, A. Tadjer, M. Baumgarten, Theoretical study on the structural aspects of Cu(II) hybrid-spin complexes., European Journal of Inorganic Chemistry, 2010, стр.:379-390, Ref, Web of Science, SCOPUS, SJR ( - 2010), SCOPUS Quartile: Q1 (Inorganic Chemistry), в сътрудничество с чуждестранни учени, PhD, MSc
|
2010
|
|
49
|
Z. Velikov, Y. Velokov, B. Galunska, D. Paskalev, A. Tadjer, Melatonin: Quantum-chemical and Biochemical Investigation of Antioxidant Activity, Eur. J. Medicinal Chem., том:44, 2009, стр.:2834-2839, Ref, Web of Science
|
2009
|
|
50
|
I. Trenchev, P. Milanov, Z. Velikov, N. Pencheva, A. Tadjer, Stability of oligonucleotides as a criterion for resistance of the genetic code, Scientific Research Journal of South-West University, том:2, 2009, стр.:11-19
|
2009
|
|
51
|
N. Gospodinova, D. Ivanov, D. Anokhin, I. Mihai, L. Vidal, S. Brun, J. Romanova, A. Tadjer, Unprecedented Route to Ordered Polyaniline: Direct Synthesis of Highly-Crystalline Fibrillar Films with Strong pi-pi Stacking Alignment , Macromolecular Rapid Communications, том:30, 2009, стр.:29-33, Ref, Web of Science, SCOPUS, SJR ( - 2009), SCOPUS Quartile: Q1 (Polymers and plastics), в сътрудничество с чуждестранни учени, PhD
|
2009
|
|
52
|
M. Kolev, A. Tadjer, Zh. Velkov, Anticancer Activity of Spin-Labeled Nitrosoureas as a Function of the LUMO Energy , IEEE Proc. HSI , брой:2008, 2008, стр.:557-559
|
2008
|
|
53
|
P. G. Shushkov, S. A.Tzvetanov, A. N. Ivanova, A. V. Tadjer, Dielectric Properties Tangential to the Interface in Model Insoluble Monolayers – Theoretical Assessment , Langmuir , том:24, 2008, стр.:4615-4624, Ref, Web of Science, MSc
|
2008
|
|
54
|
Zh. Velkov, M. Kolev, A. Tadjer, Molecular Modelling and Statistical Analysis of Scavenging/Antioxidant Activity of Phenolic Compounds , Proc. XIV Natl. Congress Appl. Mathematics in Biology and Medicine, 2008, стр.:134-139
|
2008
|
|
55
|
N. Tyutyulkov, N. Drebov, A. Staykov, A. Tadjer, A New Class of Non-Kekule Radical Polymethines: Theoretical Study
, Int. J. Quant. Chem., брой:107, 2007, стр.:1396-1404
|
2007
|
|
56
|
N. Gospodinova, S. Dorey, A. Ivanova, H. Zhekova, A. Tadjer, Evidence for Generation of Delocalized Polarons in Conducting Polyaniline: a Raman Scattering Spectroscopy Approach, Int. J. Polym. Anal. Charact., том:12, 2007, стр.:251-271, Ref, Web of Science
|
2007
|
|
57
|
A. Tadjer, A. Ivanova, Y. Velkov, S. Tzvetanov, M. Gotsev, B. Radoev, Exploratory Study of Dielectric Properties of Insoluble Monolayers: Molecular Models, Int. J. Quant. Chem. , том:107, 2007, стр.:1719-1735, Ref, Web of Science, PhD, MSc
|
2007
|
|
58
|
Zh. Velkov, Y. Velkov, E. Balabanova, A. Tadjer, First Principles Study on the Structure of Conjugated Amides and Thioamides, Int. J. Quant. Chem., брой:107, 2007, стр.:1765-1771, Ref, Web of Science
|
2007
|
|
59
|
Z. Velkov, M. Kolev, A. Tadjer, Modeling and Statistical Analysis of DPPH Scavenging Activity of Phenolics, Collect. Czech. Chem. Commun., брой:72, 2007, стр.:1461-1471
|
2007
|
|
60
|
Zh. Velkov, A. Tadjer, Quantum-chemical Approach to Silybin A and Silybin B Antioxidant Activity Investigation , Annual of Konstantin Preslavsky University, Shumen, Faculty of Natural Sciences, брой:28 B2, 2007, стр.:178-187
|
2007
|
|
61
|
Z. Velkov, E. Balabanova, A. Tadjer, Radical Scavenging Activity Prediction of o-Coumaric Acid Thioamide , J. Molec. Struct. THEOCHEM , брой:821, 2007, стр.:133-138
|
2007
|
|
62
|
F. Fratev, E. Mihayova, A. Tadjer, E. Benfenati, Study of Species-specific Carcinogenicity of Benzene Derivatives 1. Combination of CoMFA and GRID Analysis , Oxid. Commun., брой:30, 2007, стр.:891-911
|
2007
|
|
63
|
F. Fratev, E. Mihayova, A. Tadjer, E. Benfenati, Study of Species-specific Carcinogenicity of Benzene Derivatives 2. Combination of Docking and Local Binding Energy (LBE) Analysis , Oxid. Commun., брой:30, 2007, стр.:912-926
|
2007
|
|
64
|
A. Ivanova, G. Madjarova, A. Tadjer, N. Gospodinova, Effect of Solvation and Intermolecular Interactions on the Structure and Optical Properties of PANI Oligomers, International Journal of Quantum Chemistry, том:106, 2006, стр.:1383-1395, doi:https://doi.org/10.1002/qua.20896, Ref, Web of Science, SCOPUS Quartile: Q2 (IF=1.182), в сътрудничество с чуждестранни учени, PhD
|
2006
|
|
65
|
Zh. Velkov, Y. Velkov, A. Tadjer, I. Stankova, Quantum-chemical Investigations of 5-bromo-2’-deoxyuridine Derivatives with Antiviral Activity, Collect. Czech. Chem. Commun., брой:71, 2006, стр.:691-697
|
2006
|
|
66
|
A. Ivanova, A. Tadjer, N. Gospodinova, Theoretical study of the influence of monomer excess on the structure and properties of polyaniline oligomers , J. Phys. Chem. B , том:110, 2006, стр.:2555-2564, Ref, Web of Science
|
2006
|
|
67
|
A. Ivanova, A. Tadjer, N. Tyutyulkov, B. Radoev, Hydrophilic interactions between organic and water molecules as models for monolayers at the gas/water interface, J. Phys. Chem. A , том:109, 2005, стр.:1692-1702, Ref, Web of Science
|
2005
|
|
68
|
N. Tyutyulkov, F. Dietz, A. Tadjer, Polymethine-Structural Principles of -Conjugated Systems with Non-bonding Molecular Orbitals, MATCH Commun. Math. Comput. Chem., брой:53, 2005, стр.:99-109
|
2005
|
|
69
|
K. Chuchev, A. Tadjer, N. Nikolova, V. Nenov, Relationship between Molecular Characteristics and Biodegradation Rate of Benzene Derivatives, Oxid. Commun., брой:28, 2005, стр.:837-846
|
2005
|
|
70
|
G. Madjarova, A. Tadjer, Tz. Cholakova, A. Dobrev, T. Mineva, Selectivity descriptors for the Michael addition reaction as obtained from density functional based aproaches, J. Phys. Chem. A, том:109, брой:2, 2005, стр.:387-393, Ref, Web of Science, SCOPUS Quartile: Q2 (IF=2.898)
|
2005
|
|
71
|
I. Minkov, A. Tadjer, Magnetic Interactions in Non-alternant Mixed Molecular Radical Crystals and Mixed Ion Radical Crystals, Int. J. Quant. Chem., брой:99, 2004, стр.:667-676
|
2004
|
|
72
|
N. Tyutyulkov, K. Mullen, M. Baumgarten, A. Ivanova, A. Tadjer, Is 2-D Graphite an Ultimate Large Hydrocarbon? III. Structure and Energy Spectra of Large Polybenzenoid Hydrocarbons with Different Edge Structures , Synth. Metals , том:139, 2003, стр.:99-107, Ref, Web of Science
|
2003
|
|
73
|
A. Ivanova, A. Tadjer, B. Radoev, I. Panayotov, A Theoretical Study of Model Lipid Monolayers, SAR and QSAR in Environmental Research , том:13, 2002, стр.:237-241, Ref, Web of Science
|
2002
|
|
74
|
A. Ivanova, A. Tadjer, B. Radoev, Theoretical Study of Insoluble Polymer Monolayers, Int. J. Quant. Chem. , том:89, 2002, стр.:397-404, Ref, Web of Science
|
2002
|
|
75
|
A. Tadjer, G. Madjarova, Band Structure of One-Dimensional Graphite, Ann. de l’Univ. de Sofia, брой:91, 2001, стр.:51-56
|
2001
|
|
76
|
N. Tyutyulkov, A. Ivanova, A. Tadjer, K. Muellen, M. Baumgarten, Structure and Energy Spectra of Large Polybenzenoid Hydrocarbons with Different Edge Structures , Bulg. Chem. Ind., брой:72, 2001, стр.:110-116
|
2001
|
|
77
|
J. Velkov, A. Tadjer, A. Ivanova, D. Sidzhakova, Synthesis, Identification and Structure of 3-Amino-2-phenyl-pyrazolo-4-amide and Thioamide, Ann. de l’Univ. de Sofia, брой:91, 2001, стр.:203-211
|
2001
|
|
78
|
N. Gospodinova, A. Tadjer, G. Madjarova, P. Mokreva, L. Terlemezyan, Homo- and Copolymerisation of Ring-substituted Alkyl Anilines. Theoretical Estimation of Monomer Reactivity, Bulgarian Chemical Communications, том:32, 2000, стр.:72-79
|
2000
|
|
79
|
A. Tadjer, G. Madjarova, F. Dietz, Jahn-Teller distortion of the ionradicals of large aromatic hydrocarbons, Bulgarian Chemistry and Industry, том:71, 2000, стр.:36-38
|
2000
|
|
80
|
A. Tadjer, N. Gospodinova, G. Madjarova, L. Terlemezyan, P. Mokreva, Photosensitivity of Aniline Polymerisation, Bulgarian Chemical Communications , том:32, 2000, стр.:66-71
|
2000
|
|
81
|
N. Tyutyulkov, A. Tadjer, Structure and Energy Spectrum of One-Dimensional Polymers, Ann. de l’Univ. de Sofia, брой:88, 2000, стр.:47-54
|
2000
|
|
82
|
I. Karamancheva, A. Tadjer, Tz. Philipova, G. Madjarova, C. Ivanova, T. Grozeva, Calculated and Experimental Spectra of some 1,8-Naphthalimide Derivatives, Dyes and Pigments, том:36, 1998, стр.:273-285, doi:https://doi.org/10.1016/S0143-7208(97)00025-9, Ref, IF, IF (0.53 - 1998), SCOPUS Quartile: Q2 (IF=0.53), PhD
|
1998
|
|
83
|
N. Tyutyulkov, A. Tadjer, G. Madjarova, Energy Spectra of the [N]Phenylenes, Annuaire de l’Universite de Sofia „St. Kliment Ohridski“ Faculte de Chimie , том:90, 1998, стр.:21-26
|
1998
|
|
84
|
N. Tyutyulkov, G. Madjarova, A. Tadjer, Organic Polymers with Indirect Magnetic Interaction., Annuaire de l’Universite de Sofia „St. Kliment Ohridski“ Faculte de Chimie, том:89, 1997, стр.:195-201
|
1997
|
|
85
|
N. Gospodinova, L. Terlemezian, P. Mokreva, A. Tadjer, A New Approach to the Study of Oxidative Polymerization of Aniline and Transformations of Polyaniline. Support by Means of the Hueckel Method , Polymer , брой:37, 1996, стр.:4431-4433
|
1996
|
|
86
|
N. Tyutyulkov, A. Tadjer, G. Madjarova, F. Dietz, Vinylidene - A New Ferromagnetic Coupler in One-Dimensional High-Spin Polymers, Bulgarian Chemical Communications , том:29, 1996, стр.:683-691
|
1996
|
|
87
|
N. Tyutyulkov, A. Tadjer, G. Madjarova, A Novel Class High-Spin Organic Polymers, Bulgarian Chemical Communications , том:28, 1995, стр.:418-427
|
1995
|
|
88
|
F. Dietz, M. Rabinovitz, A. Tadjer, N. Tyutyulkov, Structure and Energy Spectra of Molecules Containing Anti-Aromatic Ring Systems. Part 2. Energy Spectra and Stabilization of Systems Containing the Anti-Aromatic Cycloheptatrienide Anion , J. Chem. Soc. Perkin Trans., брой:2, 1995, стр.:735-739
|
1995
|
|
89
|
F. Dietz, M. Rabinovitz, A. Tadjer, N. Tyutyulkov, Structure and Energy Spectra of Molecules Containing Anti-Aromatic Ring Systems III. Anti-Aromaticity of Ion Radicals of Benzene and Substituted Benzenes, Z. Physikal. Chem., , брой:191, 1995, стр.:15-22
|
1995
|
|
90
|
N. Tyutyulkov, A. Tadjer, I. Mincheva, Band Structure of Poly(perinaphthalene) , Synthetic Metals, брой:38, 1990, стр.:313-317
|
1990
|
|
91
|
F. Dietz, N. Tyutyulkov, A. Tadjer, On the Energy Spectrum of Polymethines, J. Inf. Rec. Mater. , брой:17, 1989, стр.:251-265
|
1989
|
|
92
|
R. Radinov, M. Haimova, A. Tadjer, E. Simova, Sv. Simova, 3-Phenylpyrazolo(3,4-c)pyridine and Derivatives: Structure Determination, J. Mol. Struct., брой:158, 1987, стр.:99-108
|
1987
|
|
93
|
F. Dietz, A. Tadjer, N. Tyutyulkov, A Quantum-chemical Model for the Photoisomerization of Protonated Schiff Bases of Some Polyenals, Bulg. Acad. Sci., Commun. Dept. Chem., брой:19, 1986, стр.:146-150
|
1986
|
|
94
|
F. Dietz, A. Koch, C. Nieke, R. Richter, J. Reinhold, A. Tadjer, N. Tyutyulkov, Quantum Chemical Investigations of the Mechanism of the Photographic Process. III. A Model of Growth and Structure of the Latent Image , J. Imag. Sci., брой:30, 1986, стр.:284-289
|
1986
|
|
95
|
N. Tyutyulkov, A. Tadjer, F. Dietz, J. Reinhold, Band Structure and Local States of Crystals of Silver Halides. I. Local States Arising Upon Adsorption of Ions, J. Signal AM, брой:12, 1984, стр.:390-396
|
1984
|
|
96
|
F. Dietz, C. Gruentzig, A. Koch, R. Essbach, J. Reinhold, N. Tyutyulkov, A. Tadjer, Quantum Chemical Investigations of Mechanisms of the Photographic
Process. AgBr Model Clusters for the Adsorption of Silver
, Bull. Jap. Soc. of Printing Sci. and Technology, брой:21, 1984, стр.:129-138
|
1984
|
|
97
|
F. Dietz, J. Fabian, A. Mehlhorn, A. Tadjer, N. Tyutyulkov, Regeln fuer qualitative Charakterisierung der Energie und der
Elektronenstruktur der Grundzustansberrieren und der
nichtspektroskopischen Minima bei der trans-cis-Isomerisierung von Polymethinen und polaren Polyenen
, Wiss-Z. Karl-Marx-Univ. Leipzig, Math. Naturwiss.R., брой:33, 1984, стр.:351-358
|
1984
|
|
98
|
N. Tyutyulkov, A. Tadjer, F. Dietz, J. Reinhold, Band Structure and Local States in Silver Halide Crystals, CR Acad. Bulg. Sci., брой:36, 1983, стр.:120-121
|
1983
|
|
99
|
F. Dietz, A. Tadjer, N. Tyutyulkov, Quantum-chemical Model for the Photoisomerization of Protonated Schiff Bases of Formaldehyde and Acrolein, Chem. Phys. Lett., брой:99, 1983, стр.:1073-1076
|
1983
|
|
100
|
F. Dietz, W. Foerster, C. Weiss, A. Tadjer, N. Tyutyulkov, Stereoisomerization of Streptocyanines, J. Signal AM, брой:9, 1981, стр.:177-190
|
1981
|
|
101
|
N. Tyutyulkov, F. Dietz, J. Fabian, A. Mehlhorn, A. Tadjer, Studies of the Energy Spectrum of ,-Substituted Polymethine Chains II. Polymethine Chains with Odd Number of Methine Groups, Theoret. Chim. Acta (Berl.), брой:60, 1981, стр.:185-200
|
1981
|
|
102
|
N. Tyutyulkov, A. Tadjer, F. Dietz, Application of the Frontier MO’s of the Unit Cell for the Study of the Energy Spectrum of Polymer Systems, Bulg. Acad. Sci., Commun. Dept. Chem., брой:12, 1979, стр.:323-325
|
1979
|
|
103
|
N. Tyutyulkov, A. Tadjer, F. Dietz, Band Structure of Molecular Aggregates of Cyanine Dyes , Bulg. Acad. Sci., Commun. Dept. Chem., брой:12, 1979, стр.:633-640
|
1979
|
|
104
|
N. Tyutyulkov, A. Tadjer, F. Dietz, Quantum Chemical Investigations on Dye Aggregates. XI. Band Structure of Molecular Aggregates of Cyanine Dyes, J. Signal AM, брой:7, 1979, стр.:388-391
|
1979
|
|
105
|
F. Fratev, A. Tadjer, A Theoretical Study of Molecular Structure in the Excited State and Molecular Luminescence. Part II. An SCF-CI Calculation of Luminescence and Molecular Structure in Equilibrium Excited States of Some Compounds with Strong Bond Alternation, J. Mol. Struc. , 1975, стр.:185-193
|
1975
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| Статия в поредица |
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1
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Yana Tsoneva, Alia Tadjer, Water structuring at non-polar fluid interfaces, Progress in Theoretical Chemistry and Physics, том:Quantum Systems in Chemistry, Physics, and Biology: Advances in Concepts and Applications, брой:30, издателство:Springer, 2017, стр.:119-138, Ref, Web of Science, PhD
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2017
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2
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M. Velinova, Y. Tsoneva, Ph. Shushkov, A. Ivanova, A. Tadjer, Systematic derivation and testing of AMBER force field parameters for fatty ethers from quantum mechanical calculations, Progress in Theoretical Chemistry and Physics, том:Advances in the Theory of Quantum Systems in Chemistry, брой:22, редактор/и:P.E. Hoggan , 2011, doi:10.1007/978-94-007-2076-3 26, Ref, Web of Science, PhD, MSc
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2011
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3
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J. Petrova, J. Romanova, G. Madjarova, A. Ivanova, A. Tadjer, Influence of the Level of Protonation on the Geometry and the Electronic Structure of Emeraldine Oligomers., Progress in Theoretical Chemistry and Physics , брой:20, 2009, стр.:219-251, Ref, Web of Science
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2009
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| Статия в сборник (на конференция и др.) |
|
1
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Iliia Kichev, Lyuben Borislavov, Alia Tadjer, Automated generation of molecular derivatives - DerGen software package, Materials Today: Proceedings , Publisher:Elsevier, 2022, Ref, MSc
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2022
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2
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M. Velinova, A. Tadjer, S.-J. Marrink, Coarse-grained molecular dynamics simulation of model cell membrane permeabilization by Protegrin, Science and Supercomputing in Europe, редактор/и:Silvia Monfardini, 2012, PhD
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2012
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3
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J. Petrova, A. Tadjer, I. Ciofini, C. Adamo, Estimation of the influence of environmental effects on the properties of conducting polyaniline - the presence of explicit water molecules, Science and Supercomputing in Europe, редактор/и:Silvia Monfardini, 2012, PhD
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2012
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4
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M. Velinova, D. Sengupta, A. Tadjer, S.-J. Marrink, Coarse-Grained Molecular Dynamics Simulation of Micelle Formation for Peptide Encapsulation Purposes, Science and Supercomputing in Europe, редактор/и:Silvia Monfardini, 2010, стр.:57-0, PhD
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2010
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5
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M. Velinova, D. Sengupta, A. Tadjer, S.-J. Marrink, Penetration of an Antimicrobial Peptide into a Model Cell Membrane - Coarse-Grained Molecular Dynamics Simulations, Science and Supercomputing in Europe, редактор/и:Silvia Monfardini, 2010, стр.:30-0, PhD
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2010
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| Студия в сборник (на конференция и др.) |
|
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Gergana Kostadinova, Rumen Lyapchev, Alia Tadjer, Joanna Stoycheva, Ilia Kichev, Julia Romanova, MATERIALS FOR ORGANIC SOLAR CELLS: AN INTERPLAY
BETWEEN MOLECULAR CONFORMATION, SUBSTITUENT
EFFECT AND SINGLET FISSION PROPENSITY, International Conference on Energy and Environment and Storage of Energy ICEESEN 2020, Conference Proceedings, 19th -21th of November, Kayseri, Turkey, 2020, ISSN (online):978-625-409-147-6
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2020
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| Участие в конференция |
|
1
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Постер, Юлия Романова, COMPUTATIONAL SCREENING FOR POTENTIAL SINGLET FISSION CHROMOPHORES BASED ON THEIR DIRADICAL CHARACTER
|
2024
|
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2
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Постер, Аля Таджер, Early Stages of Battery Electrolytes Degradation: Theory and Experiment
|
2024
|
|
3
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Постер, Янислав Данчовски, Design of Bipolar Organic Matrices for Reversible Redox Reactions in Non-Aqueous Electrolytes
|
2024
|
|
4
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Постер, Аля Таджер, MACHINE LEARNING FOR SINGLET FISSION CHROMOPHORES QUEST
|
2024
|
|
5
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Постер, Христо Рашеев, Modelling of sodium clusters in various conjugated carbonaceous structures
|
2024
|
|
6
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Постер, Аля Таджер, QUEST FOR POTENTIAL SINGLET FISSION CHROMOPHORES IN A DENSE JUNGLE OF UNSORTED FLORA: TAMING OF A SHREWD DATASET
|
2023
|
|
7
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Постер, Аля Таджер, HIGH-THROUGHPUT SCREENING FOR SINGLET FISSION CHROMOPHORES: THE CHALLENGE OF IMBALANCED DATASETS
|
2023
|
|
8
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Постер, Илия Кичев, Electrode Potential Calculation Accounting for the Dielectric Medium of the Bulk Electrode
|
2023
|
|
9
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Пленарен доклад, Аля Таджер, Alkali Metals Trapped in a Polyaromatic Forest:
Novel Anode Materials for More Efficient Batteries
|
2023
|
|
10
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Постер, Daniel Dinev, Luring Magnesium into a 2D-Framework: What Makes the Bait Juicier?
|
2023
|
|
11
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Постер, Янислав Данчовски, Solvent Effect on the Stability of Coordination Polymers as Electrode Materials for Li-Ion Batteries
|
2023
|
|
12
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Постер, Yanislav Danchovski, Solvent Effect on the Stability of Coordination Polymers Designed for Electrode Materials in Li-Ion Batteries
|
2023
|
|
13
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Секционен доклад, Аля Таджер, Design of Organic-Based Coordination Architectures as Electrode Materials for Metal-Ion Batteries
|
2023
|
|
14
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Секционен доклад, Любен Бориславов, Machine Learning Prediction of Degradation Reactions in Energy Storage Materials
|
2023
|
|
15
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Постер, Христо Рашеев, Radical Species Emerging Prior to Electrolyte Degradation
|
2023
|
|
16
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Постер, Любен Бориславов, MACHINE-LEARNING ASSISTED CASTING OF SINGLET FISSION CANDIDATES
|
2022
|
|
17
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Секционен доклад, Илия Кичев, DerGen – A New AI Tool Generating Databases for Machine Learning Algorithms
|
2022
|
|
18
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Постер, Янислав Данчовски, Coordination Polymers as Electrode Materials for Li-Ion Batteries
|
2022
|
|
19
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Секционен доклад, Аля Таджер, TOWARD NEW SINGLET FISSION MATERIALS: EXCITED STATES DESIGN IN HETEROCYCLIC CARBENE DIMERS
|
2022
|
|
20
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Постер, Христо Рашеев, Novel redox-active MOF promising excellent electrochemical properties for Li+, Na+
and Mg2+ storage
|
2022
|
|
21
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Постер, Любен Бориславов, Machine Learning Assisted Design of Novel Organic Redox Materials for
Metal-Ion Batteries
|
2022
|
|
22
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Постер, Мирослава Недялкова, OPEN-SHELL BUT ATTRACTIVE OR STABLE BUT CONVENTIONAL – THE DILEMMA OF A SINGLET FISSION CHROMOPHORE
|
2022
|
|
23
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Секционен доклад, Любен Бориславов, MACHINE-LEARNING-AIDED DISCOVERY OF EFFICIENT ORGANIC PHOTOVOLTAIC MATERIALS
|
2021
|
|
24
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Постер, Юлия Романова, THE DIRADICAL CHARACTER – TO BE OR NOT TO BE?
|
2021
|
|
25
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Постер, Васка Петакова, INTERPLAY BEWTEEN DIRADICAL CHARACTER AND STABILITY IN SINGLET FISSION CHROMOPHORES
|
2021
|
|
26
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Постер, Йоанна Стойчева, UNLOCKING NEW OPPORTUNITIES FOR THE PHOTOVOLTAIC MATERIALS MARKET
|
2021
|
|
27
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Постер, Илия Кичев, NITROGEN AND OXYGEN – A FRUITFUL TANDEM IN THE DESIGN OF NEW ORGANIC PHOTOVOLTAICS?
|
2021
|
|
28
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Постер, Йоанна Стойчева, DESIGNING SINGLET FISSION MATERIALS FOR THE ORGANIC PHOTOVOLTAIC MARKET
|
2021
|
|
29
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Постер, Илия Кичев, THEORETICAL INVESTIGATION ON SINGLET FISSION ORGANICS CONTAINING NITROGEN
|
2021
|
|
30
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Постер, Мирослава Недялкова, RELATIONSHIPS BETWEEN STRUCTURE AND SINGLET FISSION PROPENSITY REVEALED BY CLASSIFICATION ANALYSIS
|
2021
|
|
31
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Постер, Любен Бориславов, MACHINE LEARNING MODEL CHASING SINGLET FISSION CHROMOPHORES BASED ON THEIR DIRADICAL CHARACTER
|
2021
|
|
32
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Постер, Васка Петакова, COMPROMISE BETWEEN STABILITY AND SINGLET FISSION PROPENSITY OF ORGANIC MOLECULES: A THEORETICAL STUDY
|
2021
|
|
33
|
Постер, Илия Кичев, THEORETICAL INVESTIGATION OF NITROGEN AND OXYGEN CONTAINING HYDROCARBONS AS POTENTIAL SINGLET FISSION MATERIALS
|
2021
|
|
34
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Постер, Йоанна Стойчева, CHEMICAL FUNCTIONALIZATION AND TOPOLOGY: A NEW STRATEGY FOR HIGH-PERFORMANCE ORGANIC PHOTOVOLTAIC MATERIALS
|
2021
|
|
35
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Секционен доклад, Юлия Романова, HUNTING FOR SINGLET FISSION CHROMOPHORES BY MACHINE LEARNING ALGORITHMS: THE DIRADICAL CHARACTER AS A PRESELECTION RULE
|
2021
|
|
36
|
Постер, Юлия Романова, AB INITIO DATABASE FOR SINGLET FISSION CHROMOPHORES
|
2021
|
|
37
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Постер, Гергана Костадинова, CARBENE BASED MATERIALS FOR ORGANIC SOLAR CELLS
|
2021
|
|
38
|
Секционен доклад, Юлия Романова, HIGH-THROUGHPUT EXTRACTION OF SINGLET FISSION CHROMOPHORES FOR PHOTOVOLTAICS APPLICATIONS
|
2021
|
|
39
|
Постер, Йоанна Стойчева, TAILORING THE SINGLET FISSION PROPENSITY OF ORGANIC CHROMOPHORES
|
2021
|
|
40
|
Постер, Гергана Костадинова, NITROGEN CONTAINING HETEROCYCLIC CARBENE DIMERS: A PROMISING CLASS OF SINGLET FISSION CHROMOPHORES
|
2021
|
|
41
|
Постер, Йоанна Стойчева, EFFECT OF CHEMICAL FUNCTIONALIZATION AND TOPOLOGY ON THE PERFORMANCE OF BORON-DOPED ORGANIC PHOTOVOLTAICS
|
2021
|
|
42
|
Постер, Юлия Романова, DIRADICAL CHARACTER VS. STABILITY – WHERE IS THE PERFECT INTERSECTION FOR REAL MATERIALS?
|
2021
|
|
43
|
Постер, Гергана Костадинова, THE ROLE OF CONFORMATION IN THE DESIGN OF SINGLET FISSION CHROMOPHORES FOR PHOTOVOLTAIC APPLICATIONS
|
2021
|
|
44
|
Секционен доклад, Гергана Костадинова, N-ХЕТЕРОЦИКЛЕНИ КАРБЕНОВИ ДИМЕРИ: НОВ КЛАС ХРОМОФОРИ ЗА СИНГЛЕТНО РАЗЦЕПВАНЕ
|
2021
|
|
45
|
Секционен доклад, Любен Бориславов, ТЪРСЕНЕ НА ХРОМОФОРИ ЗА СИНГЛЕТНО РАЗЦЕПВАНЕ ЧРЕЗ МАШИННО ОБУЧЕНИЕ
|
2021
|
|
46
|
Постер, Гергана Костадинова, NHC DIMERS FOR SINGLET FISSION AND ORGANIC PHOTOVOLTAICS
|
2021
|
|
47
|
Постер, Гергана Костадинова, CARBENE DIMERS - THINKER TOYS FOR DESIGNING SINGLET FISSION MATERIALS FOR EFFICIENT ORGANIC SOLAR CELLS
|
2020
|
|
48
|
Постер, Юлия Романова, A BENCHMARK STUDY ON SINGLET FISSION CHROMOPHORES: VERTICAL EXCITATION ENERGIES AND OSCILLATOR STRENGTHS
|
2020
|
|
49
|
Постер, Юлия Романова, PRESCREENING MODEL FOR EFFICIENT ORGANIC PHOTOVOLTAIC CHROMOPHORES BASED ON THEIR DIRADICAL CHARACTER
|
2020
|
|
50
|
Постер, Гергана Костадинова, MATERIALS FOR ORGANIC SOLAR CELLS: AN INTERPLAY BETWEEN MOLECULAR CONFORMATION, SUBSTITUENT EFFECT AND SINGLET FISSION PROPENSITY
|
2020
|
|
51
|
Постер, Йоанна Стойчева, CHEMICAL FUNCTIONALIZATION AND TOPOLOGY: A NEW STRATEGY FOR HIGH-PERFORMANCE ORGANIC PHOTOVOLTAIC MATERIALS
|
2020
|
|
52
|
Постер, Любен Бориславов, SINGLET FISSION CHROMOPHORES FOR ORGANIC SOLAR CELLS: CHEMICAL DATABASE FROM QUANTUM-CHEMICAL CALCULATIONS
|
2020
|
|
53
|
Секционен доклад, Христо Рашеев, Hybrid-ion batteries: modelling of the ions competition for solvation
|
2019
|
|
54
|
Секционен доклад, Христо Рашеев, Solavation-desolvation thermodynamics in mixed alkaline-ion batteries
|
2019
|
|
55
|
Секционен доклад, Аля Таджер, Molecular modelling of hybrid-ion batteries
|
2019
|
|
56
|
Секционен доклад, Аля Таджер, Boron-doping of small polycyclic aromatic hydrocarbons: a strategy to the molecular design of efficient singlet fission materials
|
2019
|
|
57
|
Секционен доклад, Христо Рашеев, Моделиране на двуядрени комплекси на литиеви, натриеви и магнезиеви йони с етилен карбонат
|
2019
|
|
58
|
Постер, Йоанна Стойчева, QSAR models for assessment of the potential of azaindole analogs as HIV-1 attachment inhibitors
|
2018
|
|
59
|
Секционен доклад, Йоанна Стойчева, Бор-дотиране или как да повишим ефективността на органичните фотоволтаични клетки
|
2018
|
|
60
|
Секционен доклад, Аля Таджер, Theoretical insights on mixed-ion batteries
|
2018
|
|
61
|
Постер, Йоанна Стойчева, QSAR modelling of HIV-1 attachment inhibitory activity of azaindole analogs
|
2018
|
|
62
|
Постер, Аля Таджер, Reactivity of hydroxycinnamic acids
|
2018
|
|
63
|
Постер, Христо Рашеев, Molecular modeling of ion solvation in mixed-ion batteries
|
2018
|
|
64
|
Секционен доклад, Христо Рашеев, DFT-based molecular design of alkaline-ion batteries
|
2018
|
|
65
|
Секционен доклад, Zhivko Velkov, Some structural effects on the radical-scavenging activity of phenolic acids
|
2017
|
|
66
|
Пленарен доклад, Аля Таджер, Design of TADF-Utilizing OLEDs
|
2017
|
|
67
|
Секционен доклад, Йоанна Стойчева, Синглетното разцепване: с един куршум - два заека
|
2017
|
|
68
|
Секционен доклад, Alia Tadjer, Computational approaches to the assessment of radical-scavenging activity
|
2017
|
|
69
|
Секционен доклад, Добромир Калчевски, Теоретичен модел за механизмите на фотохимична реактивност на два кандидата за логически елементи
|
2017
|
|
70
|
Секционен доклад, Христо Рашеев, Моделиране на солватацията на алкални йони в етилен карбонат
|
2017
|
|
71
|
Секционен доклад, Йоанна Стойчева, Бор-дотирането - нови хоризонти пред органичните фотоволтаични клетки
|
2016
|
|
72
|
Секционен доклад, Alia Tadjer, Quantum and Computational Chemistry Lab - ongoing research and outlook
|
2016
|
|
73
|
Секционен доклад, Rosen Monov, Prêt-à-Porter: Biscoumarine Outfits of Tb(III)
|
2015
|
|
74
|
Секционен доклад, Georgi Stoychev, Modeling the interaction between light alkali elements and prototypes of doped graphene-like materials
|
2015
|
|
75
|
Секционен доклад, Аля Таджер, Антиоксиданти
|
2015
|
|
76
|
Секционен доклад, Dobromir Kalchevski, Conical intersection – a feasible route of the photoisomerization of a candidate for molecular memory
|
2015
|
|
77
|
Секционен доклад, Tsvetan Zahariev, Free energy calculations as a tool for interfacial phenomena modeling: a molecular dynamics study
|
2015
|
|
78
|
Секционен доклад, Jasmina Petrova, Water: a walk-on or a supporting actor?
|
2015
|
|
79
|
Секционен доклад, Росен Монов, ТЕРБИЕВИ (III) КОМПЛЕКСИ С БИСКУМАРИНОВИ ПРОИЗВОДНИ
|
2015
|
|
80
|
Секционен доклад, Яна Цонева, СРАВНИТЕЛНО МОЛЕКУЛНО-ДИНАМИЧНО ИЗСЛЕДВАНЕ НА СТРУКТУРИРАНЕТО НА ТЕЧНА ВОДА
|
2015
|
|
81
|
Секционен доклад, Добромир Калчевски, ТЕОРЕТИЧНО МОДЕЛИРАНЕ НА МЕХАНИЗМА НА E/Z ФОТОИЗОМЕРИЗАЦИЯ НА 4, 2’, 4’-ТРИХИДРОКСИХАЛКОН
|
2015
|
|
82
|
Секционен доклад, Jasmina Petrova, Water: a walk-on or a supporting actor?
|
2015
|
|
83
|
Секционен доклад, Georgy Stoychev, Quantifying the Hospitality of Cucurbiturils
|
2015
|
|
84
|
Секционен доклад, Rosen Monov , Terbium(III) complexes with biscoumarine derivatives
|
2015
|
|
85
|
Секционен доклад, Hristo Rasheev, Modelling of Porous Hydrocarbon Materials for Facile Ion Migration
|
2015
|
|
86
|
Секционен доклад, Alia Tadjer, In silico design of light-weight anodes for alkali ion batteries
|
2015
|
|
87
|
Секционен доклад, Yana Tsoneva, A MD comparative study of water structuring at different interfaces
|
2015
|
|
88
|
Секционен доклад, Rosen Monov, Prêt-à-Porter: Biscoumarine Outfits of Tb(III)
|
2015
|
|
89
|
Секционен доклад, Dobromir Kalchevski, Conical intersection – a feasible route of the photoisomerization of a candidate for molecular memory
|
2015
|
|
90
|
Секционен доклад, Georgy Stoychev, Quantifying the Hospitality of Cucurbiturils
|
2015
|
|
91
|
Постер, Hristo Rasheev, Modelling of Porous Hydrocarbon Materials for Facile Ion Migration
|
2015
|
|
92
|
Секционен доклад, Anela Ivanova, Doxorubicin delivery by covalent and noncovalent binding to peptides
|
2015
|
|
93
|
Секционен доклад, Yana Tsoneva, A Comparative MD Study of Water Structuring
|
2015
|
|
94
|
Секционен доклад, Yana Tsoneva, Water Structuring at different fluid interfaces: a Molecular Dynamics Study
|
2014
|
|
95
|
Секционен доклад, Yana Tsoneva, Water Structuring at different fluid interfaces: a Molecular Dynamics Study
|
2014
|
|
96
|
Секционен доклад, Alia Tadjer, Molecular Design of Alkali Ion Battery Anodes Based on Neat and Doped PAHs
|
2014
|
|
97
|
Секционен доклад, Alia Tadjer, Size and amount effect on the supramolecular organization of soluble PEG surfactants – in silico assessment
|
2014
|
|
98
|
Секционен доклад, Яна Цонева, АТОМИСТИЧНИ МОДЕЛИ НА ОБЕМНА МАСЛЕНА ФАЗА И ГРАНИЦА ВОДА-МАСЛО: МОЛЕКУЛНО-ДИНАМИЧЕН ПОДХОД
|
2014
|
|
99
|
Секционен доклад, Alia Tadjer, Modelling of Alkali-Carbonaceous Complexes
|
2014
|
|
100
|
Секционен доклад, Tsvetan Zahariev, Free Energy of Alkanol Transfer from Water to Oil
|
2014
|
|
101
|
Секционен доклад, Desislava Petkova, Theoretical modelling of anode materials for Na-ion batteries
|
2014
|
|
102
|
Секционен доклад, Росен Монов, КВАНТОВО-ХИМИЧНИ ИЗЧИСЛЕНИЯ НА СРЕБЪРНИ И МЕДНИ КЛЪСТЕРИ КАТО ПЛАТФОРМА ЗА АДСОРБЦИЯ НА ФОРМИАТНИ ЙОНИ
|
2014
|
|
103
|
Секционен доклад, Alia Tadjer, Soluble PEG surfactants – from ab initio to coarse graining and beyond
|
2014
|
|
104
|
Секционен доклад, Alia Tadjer, Conducting polymers – structure and spectra
|
2014
|
|
105
|
Секционен доклад, Георги Стойчев, МОДЕЛИРАНЕ НА КОМПЛЕКСИ МЕЖДУ АЛКАЛНИ АТОМИ И АРОМАТНИ АЗОТ-СЪДЪРЖАЩИ ХЕТЕРОЦИКЛИ
|
2014
|
|
106
|
Секционен доклад, Аля Таджер, Nature of Magnetic Coupling in Hybrid-spin Molecular Magnets
|
2014
|
|
107
|
Секционен доклад, Anela Ivanova, Covalent vs. non-covalent drug binding in drug-peptide complexes
|
2014
|
|
108
|
Секционен доклад, Jasmina Petrova, Influence of the environmental effects on the properties of conducting emeraldine - the presence of explicit water molecules
|
2014
|
|
109
|
Секционен доклад, Alia Tadjer, Molecular Design of Micelles for Drug Delivery Purposes
|
2014
|
|
110
|
Секционен доклад, Alia Tadjer, Concentration and Size Effects on C12Ex Aggregation – Molecular Dynamics Assessment
|
2014
|
|
111
|
Секционен доклад, Аля Таджер, Optical properties of conducting polyaniline
|
2013
|
|
112
|
Секционен доклад, Анела Иванова и Георги Вълчанов, Optical Absorption of Potential Donor-Acceptor Light Emitters
|
2013
|
|
113
|
Секционен доклад, Yana Tsoneva, MD investigation of water organization
|
2013
|
|
114
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Секционен доклад, Георги Стойчев, СРАВНИТЕЛНО ИЗСЛЕДВАНЕ НА АДСОРБЦИЯ НА NA-АТОМ ВЪРХУ ЧИСТИ И ДОТИРАНИ ПОЛИЯДРЕНИ ВЪГЛЕВОДОРОДИ
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2013
|
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115
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Секционен доклад, Галя Маджарова, Theoretical investigation of the substituent effects in synthetic flavylium and chalcone compounds as optical sensors and molecular memory
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2013
|
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116
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Секционен доклад, Yana Tsoneva, Water Structuring: a Molecular Dynamics Study
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2013
|
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117
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Секционен доклад, Георги Вълчанов, ОПТИЧНИ ОТНАСЯНИЯ НА МОДЕЛНИ МОЛЕКУЛИ ЗА ОРГАНИЧНИ СВЕТОДИОДИ
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2013
|
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118
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Секционен доклад, Alia Tadjer, Modeling of conducting polymers
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2013
|
|
119
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Секционен доклад, Alia Tadjer, Molecular Dynamics Assessment of Concentration- and Head-Size-Dependent Effects on C12Ex Aggregation
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2013
|
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120
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Секционен доклад, Tsvetan Zahariev, Molecular Dynamics Simulations for Alkane Oils Characterization
|
2013
|
|
121
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Секционен доклад, Яна Цонева, МОЛЕКУЛНО-ДИНАМИЧНО ИЗСЛЕДВАНЕ НА ДОКСОРУБИЦИН И ОКТААРГИНИН
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2013
|
|
122
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Секционен доклад, Anela Ivanova, Aggregation Patterns of Dodecyl Oligo(ethylene glycol) Dimers in Aqueous Solution
|
2012
|
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123
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Секционен доклад, Alia Tadjer, Magnetic Coupling in Hybrid-spin Molecular Magnets
|
2012
|
|
124
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Секционен доклад, Яна Цонева, Molecular dynamics structural study of a drug-peptide complex
|
2012
|
|
125
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Секционен доклад, Tsvetan Zahariev, Theoretical Assessment of C12E3 Propensity to Aggregation
|
2012
|
|
126
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Секционен доклад, Alia Tadjer, Modelling of a Molecular Nanotransporter for Transfer of Hydrophobic Agents across Cell Membranes
|
2012
|
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127
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Секционен доклад, Tsvetan Zahariev, Theoretical Estimation of the Aggregation Affinity of C12E3 in dimers
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2012
|
|
128
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Секционен доклад, Нина Илкова, Influence of the Amino Acid Sequence and Environment on the Structure and Properties of Arenicin AMPs
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2012
|
|
129
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Секционен доклад, Цветан Захариев, Atomistic molecular-mechanical model for low-molecular weight n-alkane oil phases
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2012
|
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130
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Секционен доклад, Anela Ivanova, Magnetic Properties of Mn(II)-based Hybrid-spin Complexes
|
2012
|
|
131
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Секционен доклад, Maria Velinova, Penetration of an Antimicrobial Peptide into a Model Cell Membrane - Coarse-Grained Molecular Dynamics Simulations
|
2012
|
|
132
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Секционен доклад, Георги Вълчанов, Optical Absorption of Potential Blue-Emitters
|
2012
|
|
133
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Секционен доклад, Мария Велинова, Молекулно-динамични симулации на мицелообразуване в разтвори на C12EX
|
2011
|
|
134
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Секционен доклад, Anela Ivanova, Electronic absorption spectra of fully protonated emeraldine oligomers
|
2011
|
|
135
|
Секционен доклад, Maria Velinova, Conformational features of Arenicin – from the bulk to the air-water interface and through a model cell membrane
|
2011
|
|
136
|
Секционен доклад, Жасмина Петрова, Молекулни свойства на олигомери от емералдинова сол
|
2011
|
|
137
|
Секционен доклад, Нина Илкова, ВЛИЯНИЕ НА ОБКРЪЖЕНИЕТО ВЪРХУ СТРУКТУРАТА НА АНТИМИКРОБЕН ПЕПТИД АРЕНИЦИН-1
|
2011
|
|
138
|
Секционен доклад, Julia Romanova, Dopant and solvent polarity effect on the electronic structure of the emeraldine salt
|
2011
|
|
139
|
Секционен доклад, Jasmina Petrova, Theoretical investigation of the molecular properties of the fully doped emeraldine salt
|
2011
|
|
140
|
Секционен доклад, Нина Илкова, Molecular Dynamics Study of the Conformational Properties of the AMPs Arenicines
|
2011
|
|
141
|
Секционен доклад, Жасмина Петрова, Влияние на противойонната конфигурация върху характеристиките на проводящ полианилин
|
2011
|
|
142
|
Секционен доклад, Alia Tadjer, Conducting Polyaniline - Polaronic vs. Bipolaronic Forms
|
2011
|
|
143
|
Секционен доклад, Maria Velinova, CG MD simulation of micelle formation for peptide encapsulation purposes
|
2011
|
|
144
|
Секционен доклад, Жасмина Петрова, Fully Doped Emeraldine Oligomers: a Theoretical Study of the Optical Properties
|
2011
|
|
145
|
Секционен доклад, Мария Велинова, Estimation of the Mutual Orientation and Intermolecular Interaction of C12Ex from MD Simulations
|
2011
|
|
146
|
Секционен доклад, Мария Велинова, ОЦЕНКА НА МЕЖДУМОЛЕКУЛНИТЕ ВЗАИМОДЕЙСТВИЯ И НА ВЗАИМНАТА ОРИЕНТАЦИЯ НА С12ЕХ ОТ МД СИМУЛАЦИИ
|
2011
|
|
147
|
Секционен доклад, Alia Tadjer, MD Simulations of Micelles Formation in C12Ex Solutions
|
2011
|
|
148
|
Секционен доклад, Жасмина Петрова, Electronic Spectra of the Polaronic and Bipolaronic Configurations of Emeraldine Salt Oligomers
|
2011
|
|
149
|
Секционен доклад, Цветан Захариев, МОЛЕКУЛНО- И КВАНТОВОМЕХАНИЧНО МОДЕЛИРАНЕ НА ТРИЕТИЛЕНГЛИКОЛДОДЕЦИЛОВ ЕТЕР ВЪВ ВОДНА СРЕДА
|
2011
|
|
150
|
Секционен доклад, Десислава Петкова, Halfprotonated octamers of the emeraldine salt – theoretical assessment of structure and stability
|
2011
|
|
151
|
Секционен доклад, Мария Велинова, Molecular Design of Micelles for Drug Delivery Purposes
|
2010
|
|
152
|
Секционен доклад, Яна Цонева, ) Systematic derivation and testing of AMBER force field parameters for fatty ethers from quantum mechanical calculations
|
2010
|
|
153
|
Секционен доклад, Силвия Нинова, Molecular modeling of organic radicals as prospective ligands in Spin-hybrid complexes
|
2010
|
|
154
|
Секционен доклад, Силвия Нинова, Pyridine-Based Organic Radicals as Prospective Ligands in Hybrid-Spin Cu(II) Complexes
|
2010
|
|
155
|
Секционен доклад, Аля Таджер, Quantum-mechanical calculations and test of force field parameters for simulation of fatty ethers
|
2010
|
|
156
|
Секционен доклад, Мария Велинова, Molecular dynamics simulation of micelle formation for peptide encapsulation purposes
|
2010
|
|
157
|
Секционен доклад, Яна Цонева, Derivation and Testing of Molecular Mechanics Model of Cy(EO)x Based on ab initio Estimates of the Structural and Electronic Characteristics
|
2010
|
|
158
|
Секционен доклад, Анела Иванова, Magnetic properties of oligoanilines – comparison of polarons and bipolarons
|
2010
|
|
159
|
Секционен доклад, Жасмина Петрова, Theoretical investigation of optical properties of emeraldine salt oligomers in bipolaronic configuration
|
2010
|
|
160
|
Секционен доклад, Jasmina Petrova, Comparative investigation of the molecular properties of emeraldine salt in polaronic and bipolaronic configurations
|
2010
|
|
161
|
Секционен доклад, Яна Цонева, СТРУКТУРНИ ХАРАКТЕРИСТИКИ НА МОДЕЛНИ СИСТЕМИ ОТ НЕЙОНОГЕННИЯ СЪРФАКТАНТ С12(ЕО)5
|
2010
|
|
162
|
Секционен доклад, Мария Велинова, ИЗВЕЖДАНЕ И ТЕСТВАНЕ НА МОЛЕКУЛНО-МЕХАНИЧНИ ПАРАМЕТРИ ЗА СИМУЛИРАНЕ НА АЛКАНОВИ ЕТЕРИ
|
2010
|
|
163
|
Секционен доклад, Аля Таджер, Молекулното моделиране – средство или цел?
|
2010
|
|
164
|
Секционен доклад, Мария Велинова, Multiscale molecular dynamics simulation of micelles from pentaethylene glycol monododecyl ether (C12E5) for drug delivery purposes
|
2010
|
|
165
|
Секционен доклад, Цветан Захариев, ТЕОРЕТИЧНО МОДЕЛИРАНЕ НА ЕЛЕКТРОСТАТИЧНИТЕ ВЗАИМОДЕЙСТВИЯ В КЛЪСТЕРИ ОТ ДИПОЛИ
|
2010
|
|
166
|
Секционен доклад, Силвия Нинова, Molecular Modeling of Hybrid-Spin Magnetics
|
2010
|
|
167
|
Секционен доклад, Галя Маджарова, Doped Emeraldine Oligomers – Structure and Properties
|
2010
|
|
168
|
Секционен доклад, Мария Велинова, Coarse-Grained Molecular Dynamics Simulation of Micelle Formation for Peptide Encapsulation Purposes
|
2010
|
|
169
|
Секционен доклад, Силвия Нинова, Molecular modeling of organic radicals as prospective ligands in Spin-hybrid complexes
|
2010
|
|
170
|
Секционен доклад, Цветан Захариев, A Computational Study of the Non-Ionogenic Surfactant C12E3 in Vacuum and in Water Medium
|
2010
|
|
171
|
Секционен доклад, Силвия Нинова, ТЕОРЕТИЧНО ИЗСЛЕДВАНЕ НА ОРГАНИЧНИ РАДИКАЛИ КАТО ЛИГАНДИ ЗА СПИН-ХИБРИДНИ КОМПЛЕКСИ
|
2010
|
|
172
|
Секционен доклад, Жасмина Петрова, Influence of the Oligomer Chain Length on the Optical Properties of Emeraldine Salt
|
2010
|
|
173
|
Секционен доклад, Силвия Нинова, Theoretical Research of Pyridine-Based Organic Radicals as Prospective Ligands for Hybrid-Spin Complexes
|
2010
|
|
174
|
Секционен доклад, Жасмина Петрова, Theoretical investigation of the electronic properties of oligoanilines
|
2010
|
|
175
|
Секционен доклад, Яна Цонева, Structural characteristics of models of the non-ionic surfactant C12(EO)5
|
2010
|
|
176
|
Секционен доклад, Галя Маджарова, Полианилин - влияние на средата
|
2010
|
|
177
|
Секционен доклад, Аля Таджер, Highly Doped Oligomers of Emeraldine Salt – Bipolaron vs Polaron Configurations
|
2010
|
|
178
|
Секционен доклад, Yana Tsoneva, Systematic derivation and testing of AMBER force field parameters for fatty ethers from quantum mechanical calculations
|
2010
|
|
179
|
Секционен доклад, Мария Велинова, A force field extension for simulations of fatty ethers based upon ab initio electronic structure calculations on model molecules
|
2010
|
|
180
|
Секционен доклад, Жасмина Петрова, Geometry and electron distribution of polyaniline oligomers
|
2009
|
|
181
|
Секционен доклад, Аля Таджер, Symmetry‐based Theoretical Approach to Spin‐hybrid Molecular Magnets
|
2009
|
|
182
|
Секционен доклад, Анела Иванова, От молекули към материали – теоретичен подход
|
2009
|
|
183
|
Секционен доклад, Юлия Романова, Theoretical investigation of the electrostatic solute-solvent interactions on the electronic structure of emeraldine salt
|
2009
|
|
184
|
Секционен доклад, Аля Таджер, Polyaniline – Modelling of Conducting Polymers
|
2009
|
|
185
|
Секционен доклад, Жасмина Петрова, Geometry and electron distribution of polyaniline oligomers
|
2009
|
|
186
|
Секционен доклад, Аля Таджер, Symmetry-based Theoretical Approach to Spin-hybrid Molecular Magnets
|
2009
|
|
187
|
Секционен доклад, Мария Велинова, СРАВНИТЕЛНО ИЗСЛЕДВАНЕ НА АДСОРБЦИЯ НА LI-АТОМ ВЪРХУ ЧИСТИ И ДОТИРАНИ ПОЛИЯДРЕНИ ВЪГЛЕВОДОРОДИ
|
2009
|
|
188
|
Секционен доклад, Аля Таджер, Magnetic properties of partially protonated emeraldine oligomers
|
2009
|
|
189
|
Секционен доклад, Аля Таджер, Theoretical study of magnetic Cu (II) complexes with pyridylaminoxyl radicals
|
2009
|
|
190
|
Секционен доклад, Мария Велинова, Molecular dynamics study of non-ionic lipids at the air-water interface – structural aspects
|
2009
|
|
191
|
Секционен доклад, Цвета Митева, ТЕОРЕТИЧНО ИЗСЛЕДВАНЕ НА КОМПЛЕКСИ НА CU (II) С ПИРИДИЛАМИНОКСИЛОВИ РАДИКАЛИ
|
2009
|
|
192
|
Секционен доклад, Анела Иванова, Dipole moment and dielectric permittivity of model dicaprin monolayers
|
2009
|
|
193
|
Секционен доклад, Галя Маджарова, Covalently Functionalized Carbon Nanotubes
|
2009
|
|
194
|
Секционен доклад, Юлия Романова, An In-depth DFT Approach to the Design of Hybrid-Spin Magnetic Complexes
|
2009
|
|
195
|
Секционен доклад, Аля Таджер, Molecular modelling as a primary tool for rationalizing structure-properties relationship
|
2009
|
| Участие в редколегия |
|
1
|
Alia Tadjer, Advances in Quantum Chemistry, Участие в редколегия
|
2016
|
|
2
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Alia Tadjer, ARKIVOC, Участие в редколегия
|
2007
|
|
3
|
Alia Tadjer, International Journal of Quantum Chemistry, Участие в редколегия
|
2001
|
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