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Научни приноси на проф. д-р Християн Александров

Author ID (SCOPUS):56926848100

Researcher ID (Web of Science):R-4055-2016

ORCID ID:0000-0001-8311-5193
Глава от книга
1 Sergey M. Kozlov, Hristiyan A. Aleksandrov, Lyudmila V. Moskaleva, Marcus Bäumer, Konstantin M. Neyman, From Static to Reacting Systems on Transition-Metal Surfaces, ISBN:9780080965291, Elsevier, Oxford, Ref, Рецензирано, в сътрудничество с чуждестранни учени 2013
2 Georgi N. Vayssilov, Hristiyan A. Aleksandrov, Galina P. Petrova, Petko St. Petkov, Computational Modelling of Nanoporous Materials, ISBN:978-0-444-53189-6, Elsevier, Amsterdam, Ref, Рецензирано 2009
Книга
Vayssilov, G. N., Aleksandrov, H. A., Petrova, G. P., Petkov, P., Computational Modelling of Nanoporous Materials, Elsevier, Amsterdam, Ref, Рецензирано 2009
Научен проект
1 Християн Александров, ПРОЕКТ„Софийски Университет – Маркер за Иновации и Технологичен Трансфер (SUMMIT)“, Член, 2023
2 Християн Александров, EXCELLENCE IN COLLOID AND INTERFACE RESEARCH & INNOVATIONS FOR BETTER QUALITY OF LIFE (EXTREME), Член, , Номер на договора:D01-76/30.03.2021 2021
3 Християн Александров, Механизъм на сорбция на СО2 и Н2 в порести материали, Член, , Номер на договора:КП-06-Н59/5 2021
4 Християн Александров, Димерни кумаринови производни – синтетични подходи и квантово-химични изследвания, Член, , Номер на договора:КП-06-Н39/15 2019
5 Християн Александров, Димерни кумаринови производни - синтетични подходи и квантовохимични изследвания, Член, 2019
6 Християн Александров, Научно модернизиране на мултидименсионални микропорести катализатори за реакции в зелената химия, Член, , Номер на договора:КП-06-ДО02/2 2018
7 Християн Александров, Национален център по мехатроника и чисти технологии, Член, , Номер на договора:BG05M2OP001-1.001-0008-С01 2018
8 Християн Александров, Национална Научна Програма (ННП) Информационни и Комуникационни Технологии в Науката, Образованието и Сигурността (ИКТвНОС), Член, 2018
9 Християн Александров, Национална научна програма „Нисковъглеродна енергия за транспорта и бита“ (ЕПЛЮС), Член, , Номер на договора:Д01-2014/28.11.2018 2018
10 Християн Александров, УНИТЕ - УНИВЕРСИТЕТИ ЗА НАУКА, ИНФОРМАТИКА И ТЕХНОЛОГИИ В Е-ОБЩЕСТВОТО, Член, , Номер на договора:BG05M2ОP001-1.001-0004 2018
11 Християн Александров, "Адсорбция и конверсия на азотни оксиди върху системи, съдържащи цериев диоксид", Член, , Номер на договора:ДН19/2/10.12.2017 2017
12 Християн Александров, Постигане на оптимална среда за обучение, научни изследвания, иновации и устойчиво развитие на човешкия капитал в сферата на химическите науки: Адаптиране на образованието днес за утрешния ден, Член, , Номер на договора:BG05M2OP001-2.009-0028 2017
13 Християн Александров, Enhancing the scientific capacity of the Faculty of Chemistry and Pharmacy at Sofia University as leading regional research and innovation centre in the area of advanced functional materials, Член, , Номер на договора:692146 2016
14 Християн Александров, Дизайн на нови мезопорести нанокомпозитни лекарство-доставящи системи за цитостатици и модулатори на множествената лекарствена резистентност , Член, , Номер на договора:ДН09/18/17.12.2016г. 2016
15 Християн Александров, Интергриран подход за получаване на чист водород с оползотворяване на парниковия газ СО2, Член, , Номер на договора:ДН09/5/15.12.2016г. 2016
16 Християн Александров, Моделиране на структурата и спектроскопските характеристики на съвременни материали, Ръководител, , Номер на договора:ДКОСТ01/18 2016
17 Християн Александров, Порести материали като адсорбенти за пречистване на горивата на бъдещето (метан и водород), Член, , Номер на договора:ДФНИ Т02/20 2014
18 Християн Александров, Изграждане на интердисциплинарни екипи от млади изследователи в областта на фундаменталните и приложни научни изследвания от значение за медицинската практика, Член, , Номер на договора:BG051PO001-3.3.06-0040 2013
19 Християн Александров, Design of Thin-Film Nanocatalysts for On-Chip Fuel Cell Technology, Член, , Номер на договора:310191 2012
20 Християн Александров, Theoretical modeling of the reactivity of nanostructures relevant to catalysis and to energy technologies, Член, Ministerio de Economía y Competitividad (Spain), Номер на договора:CTQ2012-34969 2012
21 Християн Александров, Разработване и провеждане на електронни форми на дистанционно обучение във Факултет по химия и фармация при СУ „Св. Климент Охридски“, Член, , Номер на договора:BG051PO001-4.3.04–0033 2012
22 Християн Александров, “Развитие на научния потенциал на Химическия факултет на Софийския университет в областа на съвременните функционални материали за успешно участие в научни изследвания на световно ниво” (Beyond Everest) / “Development of the research potential of the Faculty of Chemistry, Sofia University, in the area of advanced functional materials for successful participation in world-class research at EU level (Beyond Everest)”, Член, , Номер на договора:REGPOT-CT-2011-286205-BeyondEverest 2011
23 Християн Александров, Developing models for density functional studies of hydrogen storage in metals to account for the effect of nanostructuring, Член, Ministry of Education (Spain), Номер на договора:SB2010-0172 2011
24 Християн Александров, Evaluation of the research quality and capability of the Faculty of Chemistry, University of Sofia, and defining of an action plan, Член, 2009
25 Християн Александров, Национален център за нови материали UNION, Член, 2009
26 Християн Александров, Получаване на алтернативни горива от възобновяеми въглерод-съдържащи суровини: реформинг на биогаз до водород, Член, Фонд Научни изследвания 2009
27 Християн Александров, Синтез и структурни изследвания на кумаринови производни, Член, , Номер на договора:ДИД 02/23-17.12.2009 2009
28 Християн Александров, "Център за върхови научни постижения "Суперкомпютърни приложения" , Член, 2008
29 Християн Александров, Selective ring opening of cyclic carbohydrates for diesel upgrading: Mechanistic density functional studies at the metal catalyst, Член, DFG (Germany), Номер на договора:43106883 2008
30 Християн Александров, Изясняване на механизма на пептиден синтез в рибозомата и на възможностите за контрол върху процеса – моделни теоретични и експерименални изследвания, Член, , Номер на договора:ДО-02-130 2008
31 Християн Александров, Координационна химия на катиони в порести материали: теоретични основи, експериментално определяне и дизайн на нови материали със специфични адсорбционни и каталитични свойства , Член, , Номер на договора:ДО 02-184/16.12.2008 г. 2008
32 Християн Александров, Моделни изследвания върху влиянието на 3 крайната нуклоеобаза на тРНК при синтеза на пептидна връзка в клетката, Член, , Номер на договора:MU01/0154 2008
33 Християн Александров, Моделни изследвания върху влиянието на 3 крайната нуклоеобаза на тРНК при синтеза на пептидна връзка в клетката, Член, , Номер на договора:MU01/0154 2008
34 Християн Александров, Синтез и изследване на нови екосъобразни фосфорсъдържащи ксенобиотици, Член, , Номер на договора:МУ-Х-1602/24.10.2006 2006
35 Християн Александров, Синтез, експериментално и теоретично изследване на реакционната способност на органични съединения с потенциална фотохимична и биологична активност, Член, , Номер на договора:ВУ-Х-204/2006 2006
36 Християн Александров, Modeling Sorption and Reactivity of Hydrocarbons in Zeolites Containing Extra-Framework Metal Species, Член, DFG (Germany), Номер на договора:5405913 2003
37 Християн Александров, Theoretical Investigations of Bonding and Reactivity of Diatomics on Transition Metal Clusters, Член, DFG (Germany), Номер на договора:5388652 2003
38 Християн Александров, Имобилизиране на фоточувстителни органични молекули в кухини на зеолити и други типове молекулни сита, Член, , Номер на договора:НТ2-02/2003 г. 2003
39 Християн Александров, Обучение и подготовка на специалисти, Член, , Номер на договора:НТ2-04/2003 г. 2003
Научно ръководство
1 Християн Александров, Искра Колева, Квантовохимично моделиране на цериеводиоксидни системи, дотирани с хафний, ФХФ - СУ дипломна работа:Баян Карапенчев 2023
2 Георги Вайсилов и Християн Александров, „Квантово-химично моделиране на хетерогенни каталитични системи на основата на цериев диоксид“, Софийски Университет, Факултет по химия и фармация дисертация д-р:Искра Зарева Колева 2017
3 Християн Александров, Василий Голцев, Квантово-химично моделиране система за доставяне на лекарства – взаимодействие на кверцетин с мезопорести силикати, БФ - СУ дипломна работа:Силвия Георгиева Маринова 2017
Редактор на издание реферирано
Hristiyan Aleksandrov, Nanomaterials, Редактор на издание реферирано 2022
Статия в научно списание
1 Eddy Dib, Svetlana Mintova, Georgi N. Vayssilov, Hristiyan A. Aleksandrov, Marina Carravetta, Chemical Shift Anisotropy: A Promising Parameter To Distinguish the 29Si NMR Peaks in Zeolites, The Journal of Physical Chemistry C, vol:127, issue:22, 2023, pages:10792-10796, Ref, Web of Science, International 2023
2 S. K. Kolev, D. V. Trifonov, H. A. Aleksandrov, V. A. Atanasov, V. N. Popov, T. I. Milenov, DFT simulation of the Raman spectrum of single layer graphene, Journal of Physics: Conference Series, vol:2487, 2023, pages:12003-0, doi:10.1088/1742-6596/2487/1/012003, Ref, Web of Science 2023
3 Peng Peng, Simona Moldovan, Aurélie Vicente, Valérie Ruaux, Maxime Debost, Han Hu, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Zi-Feng Yan, Svetlana Mintova, Synthesis of nanosized MFI zeolites using Cu-containing complexes, Microporous and Mesoporous Materials, vol:357, 2023, pages:112625-0, doi:10.1016/j.micromeso.2023.112625, Ref, Web of Science, International 2023
4 Inhak Song, Iskra Z. Koleva, Hristiyan A. Aleksandrov, Linxiao Chen, Jaeyoung Heo, Dongsheng Li, Yong Wang, János Szanyi, Konstantin Khivantsev, Ultrasmall Pd Clusters in FER Zeolite Alleviate CO Poisoning for Effective Low-Temperature Carbon Monoxide Oxidation, Journal of the American Chemical Society, vol:145, issue:50, 2023, pages:27493-27499, doi:10.1021/jacs.3c08916, Ref, Web of Science, International 2023
5 Oh, Dong Gun, Aleksandrov, Hristiyan A., Kim, Haneul, Koleva, Iskra Z., Khivantsev, Konstantin, Vayssilov, Georgi N., Kwak, Ja Hun, Understanding of Active Sites and Interconversion of Pd and PdO during CH4 Oxidation, MOLECULES, vol:28, issue:4, 2023, ISSN (online):1420-3049, doi:10.3390/molecules28041957 2023
6 Simeonova, Kristina B., Koleva, Ana, I, Zlatanova, Anna-Mariya R., Petkova-Yankova, Nevena, I, Aleksandrov, Hristiyan A., St Petkov, Petko, Nikolova, Rositca D., Experimental and Theoretical Study on the Homodimerization Mechanism of 3-Acetylcoumarin, MOLECULES, vol:27, issue:21, 2022, ISSN (online):1420-3049, doi:10.3390/molecules27217228 2022
7 Khivantsev, Konstantin, Kwak, Ja-Hun, Jaegers, Nicholas R., Koleva, Iskra Z., Vayssilov, Georgi N., Derewinski, Miroslaw A., Wang, Yong, Aleksandrov, Hristiyan A., Szanyi, Janos, Identification of the mechanism of NO reduction with ammonia (SCR) on zeolite catalysts, CHEMICAL SCIENCE, vol:13, issue:35, 2022, pages:10383-10394, ISSN (print):2041-6520, ISSN (online):2041-6539, doi:10.1039/d2sc00350c 2022
8 Dong Gun Oh, Hristiyan A. Aleksandrov, Haneul Kim, Iskra Z. Koleva, Konstantin Khivantsev, Georgi N. Vayssilov, Ja Hun Kwak, Key Role of a-Top CO on Terrace Sites of Metallic Pd Clusters for CO Oxidation, Chemistry A European Journal, vol:28, issue:49, 2022, doi:https://doi.org/10.1002/chem.202200684, Ref, Web of Science, International 2022
9 Vayssilov, Georgi N., Aleksandrov, Hristiyan A., Dib, Eddy, Costa, Izabel Medeiros, Nesterenko, Nikolai, Mintova, Svetlana, Superacidity and spectral signatures of hydroxyl groups in zeolites, MICROPOROUS AND MESOPOROUS MATERIALS, vol:343, 2022, ISSN (print):1387-1811, ISSN (online):1873-3093, doi:10.1016/j.micromeso.2022.112144 2022
10 Izabel C. Medeiros-Cost, Eddy Dib, Florent Dubray, Simona Moldovan, Jean-Pierre Gilson, Jean-Pierre Dath, Nikolai Nesterenko, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Svetlana Mintova, Unraveling the Effect of Silanol Defects on the Insertion of Single-Site Mo in the MFI Zeolite Framework, Inorganic Chemistry, vol:61, issue:3, 2022, pages:1418-1425, Ref, Web of Science, International 2022
11 Konstantin Khivantsev, Nicholas R. Jaegers, Hristiyan A. Aleksandrov, Libor Kovarik, Miroslaw A. Derewinski, Yong Wang, Georgi N. Vayssilov, Janos Szanyi, Biomimetic CO oxidation below −100 °C by a nitrate-containing metal-free microporous system, Nature Communications, vol:12, 2021, pages:6033-0, ISSN (online):2041-1723, Ref, Web of Science, International 2021
12 Konstantin Khivantsev, Artem Vityuk, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Oleg S. Alexeev, Michael D. Amiridis, Catalytic conversion of ethene to butadiene or hydrogenation to ethane on HY zeolite supported rhodium complexes: Cooperative support/Rh-center route, The Journal of Chemical Physics, vol:154, 2021, pages:184706-0, doi:https://doi.org/10.1063/5.0042322, Ref, Web of Science, International 2021
13 Lorena Vega, Hristiyan A. Aleksandrov, Riccardo Farris, Albert Bruix, Francesc Viñes, Konstantin M. Neyman, Chemical ordering in Pt–Au, Pt–Ag and Pt–Cu nanoparticles from density functional calculations using a topological approach, Materials Advances, vol:2, 2021, pages:6589-6602, doi:10.1039/D1MA00529D, Ref, International 2021
14 Eddy Dib, Izabel Medeiros Costa, Georgi N. Vayssilov, Hristiyan A. Aleksandrov, Svetlana Mintova, Complex H-bonded silanol network in zeolites revealed by IR and NMR spectroscopy combined with DFT calculations, Journal of Materials Chemistry A, vol:9, 2021, pages:27347-27352, doi:10.1039/D1TA06908J, Ref, Web of Science, International 2021
15 Petko St. Petkov, Kristina Simeonova, Iskra Z. Koleva, Hristiyan A. Aleksandrov, Yoshihiro Kubota, Satoshi Inagaki, Valentin Valtchev, Georgi N. Vayssilov, Defect Formation, T-Atom Substitution and Adsorption of Guest Molecules in MSE-Type Zeolite Framework—DFT Modeling, Molecules, vol:26, issue:23, 2021, pages:7296-0, doi:https://doi.org/10.3390/molecules26237296, Ref, Web of Science, International, PhD 2021
16 Margarita Popova, Neli Koseva, Ivalina Trendafilova, Hristina Lazarova, Violeta Mitova, Judith Mihály, Denitsa Momekova, Spiro Konstantinov, Iskra Z. Koleva, Petko St. Petkov, Georgi N. Vayssilov, Hristiyan A. Aleksandrov, Ágnes Szegedi, Design of PEG-modified magnetic nanoporous silica based miltefosine delivery system: Experimental and theoretical approaches, Microporous and Mesoporous Materials, vol:310, 2021, pages:110664-0, doi:10.1016/j.micromeso.2020.110664, Ref, Web of Science, Web of Science Quartile: Q1 (2021), SCOPUS Quartile: Q1 (2021), International 2021
17 M. Y. Mihaylov, V. R. Zdravkova, E. Z. Ivanova, H. A. Aleksandrov, P. St. Petkov, G. N. Vayssilov, K. I. Hadjiivanov, Infrared spectra of surface nitrates: Revision of the current opinions based on the case study of ceria, Journal of Catalysis, vol:394, 2021, pages:245-258, doi:10.1016/j.jcat.2020.06.015, Ref, Web of Science, Web of Science Quartile: Q1 (2021), SCOPUS Quartile: Q1 (2021) 2021
18 Stefan K. Kolev, Hristiyan A. Aleksandrov, Victor Atanasov, Valentin N. Popov, Teodor I. Milenov, Surface chemistry of reduced graphene oxide: H-atom transfer reactions, Applied Surface Science, vol:567, 2021, pages:150815-0, doi:10.1016/j.apsusc.2021.150815, Ref, IF, IF (6.7 - 2023) 2021
19 Stefan K. Kolev, Hristiyan A. Aleksandrov, Victor A. Atanasov, Valentin N. Popov, Teodor I. Milenov, Surface chemistry of reduced graphene oxide: H-atom transfer reactions, Applied Surface Science, vol:567, 2021, pages:150815-0, doi:https://doi.org/10.1016/j.apsusc.2021.150815, Ref, Web of Science, IF (6.707 - 2021), Web of Science Quartile: Q1 (2021), SCOPUS, SJR (1.295 - 2021), SCOPUS Quartile: Q1 (2021) 2021
20 Louwanda Lakiss, Cassandre Kouvatas, Jean-Pierre Gilson, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Nikolai Nesterenko, Svetlana Mintova, Valentin Valtchev, Unlocking the Potential of Hidden Sites in Faujasite: New Insights in a Proton Transfer Mechanism, Angewandte Chemie International Edition, vol:60, 2021, pages:26702-26709, doi:https://doi.org/10.1002/anie.202110107, Ref, Web of Science, International 2021
21 Koleva, Iskra Z., Aleksandrov, Hristiyan A., Vayssilov, Georgi N., Influence of the adsorption of CO on the electronic structure of platinum clusters and nanowires deposited on CeO2(111) and gamma-Al2O3(001) surfaces, CATALYSIS TODAY, vol:357, issue:SI, 2020, pages:442-452, ISSN (print):0920-5861, ISSN (online):1873-4308, doi:10.1016/j.cattod.2019.07.053 2020
22 Iskra Z. Koleva, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Influence of the adsorption of CO on the electronic structure of platinum clusters and nanowires deposited on CeO2(111) and γ-Al2O3(001) surfaces, Catalysis Today, vol:357, 2020, pages:442-452, doi:10.1016/j.cattod.2019.07.053, Ref, Web of Science, IF (5.825 - 2019), Web of Science Quartile: Q1 (2020), SCOPUS, SJR (1.33 - 2019), SCOPUS Quartile: Q1 (2020) 2020
23 Iskra Z. Koleva, Hristiyan A. Aleksandrov, Konstantin M. Neyman, Georgi N. Vayssilov, Preferential location of zirconium dopants in cerium dioxide nanoparticles and the effects of doping on their reducibility: a DFT study, Physical Chemistry Chemical Physics, vol:22, 2020, pages:26568-26582, Ref, Web of Science, Web of Science Quartile: Q1 (2020), SCOPUS Quartile: Q1 (2020), International 2020
24 Konstantin Khivantsev, Nicholas R. Jaegers, Iskra Z. Koleva, Hristiyan A. Aleksandrov, Libor Kovarik, Mark H. Engelhard, Feng Gao, Yong Wang, Georgi N. Vayssilov, János Szanyi, Stabilization of Super Electrophilic Pd+2 Cations in Small-Pore SSZ-13 Zeolite, The Journal of Physical Chemistry C, vol:124, issue:1, 2020, pages:309-321, doi:10.1021/acs.jpcc.9b06760, Ref, Web of Science, Web of Science Quartile: Q1 (2020), SCOPUS Quartile: Q1 (2020), International 2020
25 Margarita Popova, Neli Koseva, Ivalina Trendafilova, Hristina Lazarova, Violeta Mitova, Judith Mihály, Denitsa Momekova, Georgi Momekov, Iskra Z. Koleva, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Ágnes Szegedi, Tamoxifen Delivery System Based on PEGylated Magnetic MCM-41 Silica, Molecules, vol:25, 2020, pages:5129-0, doi:10.3390/molecules25215129, Ref, Web of Science, Web of Science Quartile: Q1 (2020), SCOPUS Quartile: Q1 (2020), International 2020
26 Nichapha Senamart, Siriphorn Buttha, Waenkaew Pantupho, Iskra Z. Koleva, Sirinuch Loiha, Hristiyan A. Aleksandrov, Jatuporn Wittayakun, Georgi N. Vayssilov, Characterization and temperature evolution of iron-containing species in HZSM-5 zeolite prepared from different iron sources, Journal of Porous Materials, том:26, 2019, стр.:1227-1240, doi:https://doi.org/10.1007/s10934-019-00718-w, Ref, Web of Science, в сътрудничество с чуждестранни учени 2019
27 Julien Grand, Siddulu Naidu Talapaneni, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Svetlana Mintova, Hydrophobic Tungsten-Containing MFI-Type Zeolite Films for Exhaust Gas Detection, ACS Applied Materials & Interfaces, том:11, брой:13, 2019, стр.:12914-12919, Ref, Web of Science, в сътрудничество с чуждестранни учени 2019
28 S. K. Kolev, H. A. Aleksandrov, V. A. Atanasov, V. N. Popov, T. I. Milenov, Interaction of Graphene with Out-of-Plane Aromatic Hydrocarbons, The Journal of Physical Chemistry C, 2019, doi:10.1021/acs.jpcc.9b03550, Ref, Web of Science 2019
29 Ágnes Szegedi, Pavletta Shestakova, Ivalina Trendafilova, Judith Mihayi, Ivelina Tsacheva, Violeta Mitova, Mariya Kyulavska, Neli Koseva, Denitsa Momekova, Spiro Konstantinov, Hristiyan A. Aleksandrov, Petko St. Petkov, Iskra Z. Koleva, Georgi N. Vayssilov, Margarita Popova, Modified mesoporous silica nanoparticles coated by polymer complex as novel curcumin delivery carriers, Journal of Drug Delivery Science and Technology, том:49, 2019, стр.:700-712, Ref, Web of Science, в сътрудничество с чуждестранни учени 2019
30 Chalermpan Keawkumay, Wina Rongchapo, Narongrit Sosa, Suwit Suthirakun, Iskra Z. Koleva, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Jatuporn Wittayakun, Paraquat adsorption on NaY zeolite at various Si/Al ratios: A combined experimental and computational study, Materials Chemistry and Physics, том:238, 2019, стр.:121824-0, doi:10.1016/j.matchemphys.2019.121824, Ref, Web of Science, в сътрудничество с чуждестранни учени 2019
31 Artem Vityuk, Konstantin Khivantsev, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Oleg S. Alexeev, Michael D. Amiridis, Room-Temperature Ethene Hydrogenation Activity of Transition-Metal-Free HY Zeolites, ACS Catalysis, том:9, 2019, стр.:839-847, Ref, Web of Science, в сътрудничество с чуждестранни учени 2019
32 Andrey I. Stadnichenko, Valerii V. Muravev, Sergey V. Koscheev, Vladimir I. Zaikovskii, Hristiyan A. Aleksandrov, Konstantin M. Neyman, Andrei I. Boronin, Study of active surface centers of Pt/CeO2 catalysts prepared using radio-frequency plasma sputtering technique, Surface Science, том:679, 2019, стр.:273-283, Ref, Web of Science, в сътрудничество с чуждестранни учени 2019
33 Oriol Piqué, Iskra Z. Koleva, Francesc Viñes, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Francesc Illas, Subsurface Carbon: A General Feature of Noble Metals, Angewandte Chemie International Edition, том:58, 2019, стр.:1744-1748, doi:10.1002/anie.201813037, Ref, Web of Science, в сътрудничество с чуждестранни учени 2019
34 Vega, Lorena, Aleksandrov, Hristiyan A., Neyman, Konstantin M., Using density functional calculations to elucidate atomic ordering of Pd-Rh nanoparticles at sizes relevant for catalytic applications, CHINESE JOURNAL OF CATALYSIS, vol:40, issue:11, 2019, pages:1749-1757, ISSN (print):0253-9837, ISSN (online):1872-2067, doi:10.1016/S1872-2067(19)63362-0 2019
35 Lorena Vega, Hristiyan A. Aleksandrov, Konstantin M. Neyman, Using density functional calculations to elucidate atomic ordering of Pd‐Rh nanoparticles at sizes relevant for catalytic applications, Chinese Journal of Catalysis, том:40, 2019, стр.:1749-1757, Ref, Web of Science, SCOPUS Quartile: Q1 (2019), в сътрудничество с чуждестранни учени 2019
36 Margarita Popova, Rositsa Mihaylova, Georgi Momekov, Denitsa Momekova, Hristina Lazarova, Ivalina Trendafilova, Violeta Mitova, Neli Koseva, Judith Mihályi, Pavletta Shestakova, Petko St. Petkov, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Spiro Konstantinov, Ágnes Szegedi, Verapamil delivery systems on the basis of mesoporous ZSM-5/KIT-6 and ZSM-5/SBA-15 polymer nanocomposites as a potential tool to overcome MDR in cancer cells, European Journal of Pharmaceutics and Biopharmaceutics, том:142, 2019, стр.:460-472, Ref, Web of Science, в сътрудничество с чуждестранни учени 2019
37 Konstantin Khivantsev, Nicholas R. Jaegers, Libor Kovarik, Jonathan C. Hanson, Franklin (Feng) Tao, Yu Tang, Xiaoyan Zhang, Iskra Z. Koleva, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Yong Wang, Feng Gao, János Szanyi, Achieving Atomic Dispersion of Highly Loaded Transition Metals in Small-Pore Zeolite SSZ-13: High-Capacity and High-Efficiency Low-Temperature CO and Passive NOx Adsorbers, Angewandte Chemie International Edition, том:130, 2018, стр.:16914-16919, Ref, Web of Science, SCOPUS Quartile: Q1 (2018), в сътрудничество с чуждестранни учени 2018
38 Pancheva I., M. Nedyalkova, P. Petkov, H. Aleksandrov, V. Simeonov, Adaptation of the Education to the Day After, Khimiya (Chemistry – Bulg J. Sci. Edu.), том:27, брой:2, 2018, стр.:197-207, Ref 2018
39 Margarita Popova, Ivalina Trendafilova, Ivelina Tsacheva, Violeta Mitova, Mariya Kyulavska, Neli Koseva, Judith Mihály, Denitsa Momekova, Georgi Momekov, Hristiyan A. Aleksandrov, Sylvia G. Marinova, Petko St. Petkov, Georgi N. Vayssilov, Agnes Szegedi, Amino-modified KIT-6 mesoporous silica/polymer composites for quercetin delivery: Experimental and theoretical approaches, Microporous and Mesoporous Materials, том:270, 2018, стр.:40-47, Ref, Web of Science, в сътрудничество с чуждестранни учени 2018
40 Stefan Kolev, Victor Atanasov, Hristiyan Aleksandrov, Teodor Milenov, Band Gap Modulation of Graphene on SiC, The European Physical Journal B, vol:91:272, issue:11, 2018, doi:10.1140/epjb/e2018-90154-1, Ref, Web of Science 2018
41 Mihail Y. Mihaylov, Elena Z. Ivanova, Hristiyan A. Aleksandrov, Petko St. Petkov, Georgi N. Vayssilov, Konstantin I. Hadjiivanov, Species formed during NO adsorption and NO+O2 co-adsorption on ceria: A combined FTIR and DFT study, Molecular Catalysis, том:451, 2018, стр.:114-124, doi:https://doi.org/10.1016/j.mcat.2017.11.030, Ref, IF, IF (4.21 - 2018) 2018
42 Hristiyan A. Aleksandrov, Iskra Z. Koleva, Konstantin M. Neyman, Tatyana T. Tabakova, Georgi N. Vayssilov, Structure and reducibility of doped by yttrium cerium dioxide nanoparticles and (111) surface, RSC Advances, том:8, 2018, стр.:33728-33741, Ref, Web of Science, в сътрудничество с чуждестранни учени 2018
43 Aleksandrov, Hristiyan A., Koleva, Iskra Z., Neyman, Konstantin M., Tabakova, Tatyana T., Vayssilov, Georgi N., Structure and reducibility of yttrium-doped cerium dioxide nanoparticles and (111) surface, RSC ADVANCES, vol:8, issue:59, 2018, pages:33728-33741, ISSN (print):2046-2069, doi:10.1039/c8ra07014h 2018
44 Hristiyan A. Aleksandrov, Sergey M. Kozlov, Georgi N. Vayssilov, Konstantin M. Neyman, Approaching complexity of alkyl hydrogenation on Pd via density-functional modelling, Physical Chemistry Chemical Physics, том:19, 2017, стр.:21514-21521, Ref, Web of Science, в сътрудничество с чуждестранни учени 2017
45 Koleva, Iskra Z., Aleksandrov, Hristiyan A., Vayssilov, Georgi N., Decomposition behavior of platinum clusters supported on ceria and gamma-alumina in the presence of carbon monoxide, CATALYSIS SCIENCE & TECHNOLOGY, vol:7, issue:3, 2017, pages:734-742, ISSN (print):2044-4753, ISSN (online):2044-4761, doi:10.1039/c6cy02586b 2017
46 Iskra Z. Koleva, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Decomposition behavior of platinum clusters supported on ceria and γ-alumina in the presence of carbon monoxide, Catalysis Science & Technology, том:7, 2017, стр.:734-742, Ref, Web of Science, PhD 2017
47 Hristiyan A. Aleksandrov, Nikolaos Pegios, Regina Palkovits, Kalin Simeonov, Georgi N. Vayssilov, Elucidation of the higher coking resistance of small versus large nickel nanoparticles in methane dry reforming via computational modeling, Catalysis Science & Technology, том:7, 2017, стр.:3339-3347, Ref, Web of Science, в сътрудничество с чуждестранни учени 2017
48 Julien Grand, Siddulu Naidu Talapaneni, Aurélie Vicente, Christian Fernandez, Eddy Dib, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Richard Retoux, Philippe Boullay, Jean-Pierre Gilson, Valentin Valtchev, Svetlana Mintova, One-pot synthesis of silanol-free nanosized MFI zeolite, Nature Materials, том:16, 2017, стр.:1010-1015, Ref, Web of Science, в сътрудничество с чуждестранни учени 2017
49 Olaf Brummel, Fabian Waidhas, Ivan Khalakhan, Mykhailo Vorokhta, Martin Dubau, Gábor Kovács, Hristiyan A. Aleksandrov, Konstantin M. Neyman, Vladimir Matolín, Jörg Libuda, Structural transformations and adsorption properties of PtNi nanoalloy thin film electrocatalysts prepared by magnetron co-sputtering, Electrochimica Acta, том:251, 2017, стр.:427-441, Ref, Web of Science, в сътрудничество с чуждестранни учени 2017
50 Konstantin Khivantsev, Artem Vityuk, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Douglas Blom, Oleg S. Alexeev, Michael D. Amiridis, Synthesis, Modeling, and Catalytic Properties of HY Zeolite-Supported Rhodium Dinitrosyl Complexes, ACS Catalysis, том:7, 2017, стр.:5965-5982, Ref, Web of Science, в сътрудничество с чуждестранни учени 2017
51 Hristiyan A. Aleksandrov, Konstantin M. Neyman, Konstantin I. Hadjiivanov, Georgi N. Vayssilov, Can the state of platinum species be unambiguously determined by the stretching frequency of an adsorbed CO probe molecule?, Physical Chemistry Chemical Physics, том:18, 2016, стр.:22108-22121, Ref, Web of Science, в сътрудничество с чуждестранни учени 2016
52 Margarita Popova, Ivalina Trendafilova, Agnes Szegedi, Judith Mihaly, Peter Nemeth, Sylvia G. Marinova, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Experimental and theoretical study of quercetin complexes formed on pure silica and Zn-modified mesoporous MCM-41 and SBA-16 materials, Microporous and Mesoporous Materials, том:228, 2016, стр.:256-265, Ref, Web of Science, в сътрудничество с чуждестранни учени 2016
53 Olaf Brummel, Fabian Waidhas, Firas Faisal, Roman Fiala, Mykhailo Vorokhta, Ivan Khalakhan, Martin Dubau, Alberto Figueroba, Gabor Kovacs, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Sergey M. Kozlov, Konstantin M. Neyman, Vladimír Matolín, Jörg Libuda, Stabilization of Small Platinum Nanoparticles on Pt–CeO2 Thin Film Electrocatalysts During Methanol Oxidation, The Journal of Physical Chemistry C , том:120, 2016, стр.:19723-19736, Ref, Web of Science, в сътрудничество с чуждестранни учени 2016
54 Konstantin Khivantsev, Artem Vityuk, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Oleg S. Alexeev, Michael D. Amiridis, Effect of Si/Al Ratio and Rh Precursor Used on the Synthesis of HY Zeolite-Supported Rhodium Carbonyl Hydride Complexes, The Journal of Physical Chemistry C, том:119, брой:30, 2015, стр.:17166-17181, Ref, Web of Science, в сътрудничество с чуждестранни учени 2015
55 Sergey M. Kozlov, Hristiyan A. Aleksandrov, Konstantin M. Neyman, Energetic Stability of Absorbed H in Pd and Pt Nanoparticles in a More Realistic Environment, The Journal of Physical Chemistry C, том:119, брой:9, 2015, стр.:5180-5186, doi:DOI: 10.1021/jp513022m, Ref, Web of Science, в сътрудничество с чуждестранни учени 2015
56 Mihail Y. Mihaylov, Elena Z. Ivanova, Hristiyan A. Aleksandrov, Petko St. Petkov, Georgi N. Vayssilov, Konstantin I. Hadjiivanov, Formation of N3– during interaction of NO with reduced ceria, Chemical Communications , том:51, 2015, стр.:5668-5671, Ref, IF, IF (6.78 - 2015), Web of Science Quartile: Q1 (2015) 2015
57 Mihaylov, Mihail Y., Ivanova, Elena Z., Aleksandrov, Hristiyan A., St Petkov, Petko, Vayssilov, Georgi N., Hadjiivanov, Konstantin I., FTIR and density functional study of NO interaction with reduced ceria: Identification of N-3(-) and NO2- as new intermediates in NO conversion, APPLIED CATALYSIS B-ENVIRONMENTAL, vol:176, 2015, pages:107-119, ISSN (print):0926-3373, ISSN (online):1873-3883, doi:10.1016/j.apcatb.2015.03.054 2015
58 Mihail Y. Mihaylov, Elena Z. Ivanova, Hristiyan A. Aleksandrov, Petko St. Petkov, Georgi N. Vayssilov, Konstantin I. Hadjiivanov, FTIR and density functional study of NO interaction with reduced ceria: Identification of N3− and NO2− as new intermediates in NO conversion, Applied Catalysis B Environmental , том:176–177, 2015, стр.:107-119, Ref, IF, IF (8.68 - 2015), Web of Science Quartile: Q1 (2015) 2015
59 Kok-Hou Tan, Hussein Awala, Rino R. Mukti, Ka-Lun Wong, Baptiste Rigaud, Tau Chuan Ling, Hristiyan A. Aleksandrov, Iskra Z. Koleva, Iskra Z. Koleva, Georgi N. Vayssilov, Svetlana Mintova, Eng-Poh Ng, Inhibition of Palm Oil Oxidation by Zeolite Nanocrystals, Journal of Agricultural and Food Chemistry , том:63, 2015, стр.:4655-4663, Ref, Web of Science, в сътрудничество с чуждестранни учени, PhD 2015
60 Paul C. Jennings, Hristiyan A. Aleksandrov, Konstantin M. Neyman, Roy L. Johnston, O2 Dissociation on M@Pt Core–Shell Particles for 3d, 4d, and 5d Transition Metals, The Journal of Physical Chemistry C, том:119, брой:20, 2015, стр.:11031-11041, doi:DOI: 10.1021/jp511598e, Ref, Web of Science, в сътрудничество с чуждестранни учени 2015
61 Koleva, Iskra Z., Aleksandrov, Hristiyan A., Vayssilov, Georgi N., Duarte, Renata, van Bokhoven, Jeroen A., Relative stability and reducibility of CeO2 and Rh/CeO2 species on the surface and in the cavities of gamma-Al2O3: a periodic DFT study, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, vol:17, issue:34, 2015, pages:22389-22401, ISSN (print):1463-9076, ISSN (online):1463-9084, doi:10.1039/c5cp02547h 2015
62 Iskra Z. Koleva, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Renata Duarte, Jeroen A. van Bokhoven, Relative stability and reducibility of CeO2 and Rh/CeO2 species on the surface and in the cavities of γ-Al2O3: a periodic DFT study, Physical Chemistry Chemical Physics, том:17, 2015, стр.:22389-22401, Ref, Web of Science, в сътрудничество с чуждестранни учени, PhD 2015
63 Hristiyan A. Aleksandrov, Konstantin M. Neyman, Georgi N. Vayssilov, The structure and stability of reduced and oxidized mononuclear platinum species on nanostructured ceria from density functional modeling, Physical Chemistry Chemical Physics , том:17, 2015, стр.:14551-14560, Ref, Web of Science, в сътрудничество с чуждестранни учени 2015
64 Paul C. Jennings, Hristiyan A. Aleksandrov, Konstantin M. Neyman, Roy L. Johnston, A DFT study of oxygen dissociation on platinum based nanoparticles, Nanoscale, том:6, брой:2, 2014, стр.:1153-1165, Ref, Web of Science 2014
65 Sergey M. Kozlov, Hristiyan A. Aleksandrov, Konstantin M. Neyman, Adsorbed and Subsurface Absorbed Hydrogen Atoms on Bare and MgO(100)-Supported Pd and Pt Nanoparticles, The Journal of Physical Chemistry C, том:118, брой:28, 2014, стр.:15242-15250, doi:DOI: 10.1021/jp502575a, Ref, Web of Science, в сътрудничество с чуждестранни учени 2014
66 Paul C. Jennings, Hristiyan A. Aleksandrov, Konstantin M. Neyman, Roy L. Johnston, DFT studies of oxygen dissociation on the 116-atom platinum truncated octahedron particle, Physical Chemistry Chemical Physics, том:16, 2014, стр.:26539-26545, doi:DOI: 10.1039/C4CP02147A, Ref, Web of Science, в сътрудничество с чуждестранни учени 2014
67 Artem Vityuk, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Shuguo Ma, Oleg S. Alexeev, Michael D. Amiridis, Effect of Si/Al ratio on the nature and reactivity of HY zeolite-supported rhodium dicarbonyl complexes, The Journal of Physical Chemistry C , том:118, 2014, стр.:26772-26788, Ref, Web of Science, в сътрудничество с чуждестранни учени 2014
68 Hristiyan A. Aleksandrov, Sergey M. Kozlov, Swetlana Schauermann, Georgi N. Vayssilov, Konstantin M. Neyman, How Absorbed Hydrogen Affects the Catalytic Activity of Transition Metals, Angewandte Chemie International Edition , том:53, 2014, стр.:13371-13375, Ref, Web of Science, в сътрудничество с чуждестранни учени 2014
69 M. Popova, A. Szegedi, K. Yoncheva, S. Konstantinov, G. P. Petrova, H. A. Aleksandrov, G. N. Vayssilov, P. Shestakova, New method for preparation of delivery systems of poorly soluble drugs on the basis of functionalized mesoporous MCM-41 nanoparticles, Microporous and Mesoporous Materials , том:198, 2014, стр.:247-255, Ref, Web of Science, в сътрудничество с чуждестранни учени 2014
70 Sergey M. Kozlov, Hristiyan A. Aleksandrov, Jacek Goniakowski, Konstantin M. Neyman, Effect of MgO(100) support on structure and properties of Pd and Pt nanoparticles with 49-155 atoms, The Journal of Chemical Physics, том:139, 2013, стр.:84701-0, Ref, Web of Science 2013
71 Hristiyan A. Aleksandrov, Francesc Viñes, Wiebke Ludwig, Swetlana Schauermann, Konstantin M. Neyman, Tuning the Surface Chemistry of Pd by Atomic C and H: A Microscopic Picture, Chemistry A European Journal, том:19, 2013, стр.:1335-1345, Ref, Web of Science 2013
72 Hristiyan A. Aleksandrov, Elena A. Ivanova Shor, Alexei M. Shor, Vladimir A. Nasluzov, Georgi N. Vayssilov, Notker Rösch, Cationic zinc species in ZSM-5 zeolites: structure and stability from embedded cluster modeling, Soft Materials, том:10, 2012, стр.:216-234, Ref, Web of Science 2012
73 Hristiyan A. Aleksandrov, Petko St. Petkov, Georgi N. Vayssilov, Computational Modeling of Coordination Chemistry of Transition Metal Cations in Zeolites and in Metal-organic Frameworks, Current Physical Chemistry, том:2, 2012, стр.:189-199, Ref, Web of Science 2012
74 Hristiyan A. Aleksandrov, Lyudmila V. Moskaleva, Zhi-Jian Zhao, Duygu Basaran, Zhao-Xu Chen, Donghai Mei, Notker Rösch, Ethylene conversion to ethylidyne on Pd(111) and Pt(111). A first-principles-based kinetic Monte Carlo study, Journal of Catalysis, том:285, брой:1, 2012, стр.:187-195, Ref, Web of Science 2012
75 P. St. Petkov, H. A. Aleksandrov, V. Valtchev, G. N. Vayssilov, Framework stability of heteroatom substituted forms of large pore Ge-silicate molecular sieves: the case of ITQ-44, Chemistry of Materials, том:24, 2012, стр.:2509-2518, Ref, Web of Science 2012
76 Petkov, Petko St., Aleksandrov, Hristiyan A., Valtchev, Valentin, Vayssilov, Georgi N., Framework Stability of Heteroatom-Substituted Forms of Extra-Large-Pore Ge-Silicate Molecular Sieves: The Case of ITQ-44, CHEMISTRY OF MATERIALS, vol:24, issue:13, 2012, pages:2509-2518, ISSN (print):0897-4756, doi:10.1021/cm300861e 2012
77 Aleksandrov, H. A., Zdravkova, V. R., Mihaylov, M. Y., Petkov, P., Vayssilov, G. N., Hadjiivanov, K. I., Precise Identification of the Infrared Bands of the Polycarbonyl Complexes on Ni−MOR Zeolite by 12C16O−13C18O Coadsorption and Computational Modeling, The Journal of Physical Chemistry C, том:116, брой:43, 2012, стр.:22823-22831, doi:10.1021/jp304972u, Ref, Web of Science 2012
78 Aleksandrov, Hristiyan A., Zdravkova, Videlina R., Mihaylov, Mihail Y., St Petkov, Petko, Vayssilov, Georgi N., Hadjiivanov, Konstantin I., Precise Identification of the Infrared Bands of the Polycarbonyl Complexes on Ni-MOR Zeolite by (CO)-C-12-O-16-(CO)-C-13-O-18 Coadsorption and Computational Modeling, JOURNAL OF PHYSICAL CHEMISTRY C, vol:116, issue:43, 2012, pages:22823-22831, ISSN (print):1932-7447, doi:10.1021/jp304972u 2012
79 H. A. Aleksandrov, V. R. Zdravkova, M. Y. Mihaylov, P. St. Petkov, G. N. Vayssilov, K. I. Hadjiivanov, Precise Identification of the Infrared Bands of the Polycarbonyl Complexes on Ni–MOR Zeolite by 12C16O–13C18O Coadsorption and Computational Modeling, The Journal of Physical Chemistry C, том:116, 2012, стр.:22823-22831, Ref 2012
80 Lykhach, Y., Johanek, V., Hristiyan A. Aleksandrov, Sergey M. Kozlov, Happel, M., Skala, T., Petkov, P., Tsud, N., Vayssilov, G. N., Prince, K. C., Water Chemistry on Model Ceria and Pt/Ceria Catalysts, The Journal of Physical Chemistry C, том:116, брой:22, 2012, стр.:12103-12113, doi:10.1021/jp302229x, Ref, Web of Science 2012
81 Aleksandrov, H. A., Petkov, P., Vayssilov, G. N., Computational evaluation of the capability of transition metal exchanged zeolites for complete purification of hydrogen for fuel cell applications: The cheapest performs the best, Energy and Environmental Science, том:4, брой:5, 2011, стр.:1879-1885, doi:10.1039/c0ee00838a, Ref, IF, IF (9.61 - 2012) 2011
82 Hristiyan A. Aleksandrov, Petko St. Petkov, Georgi N. Vayssilov, Computational evaluation of the capability of transition metal exchanged zeolites for complete purification of hydrogen for fuel cell applications: The cheapest performs the best, Energy and Environmental Science, том:4, 2011, стр.:1879-1885, Ref, IF, IF (10.48 - 2011), Web of Science Quartile: Q1 (2011) 2011
83 Duygu Basaran, Hristiyan A. Aleksandrov, Zhao-Xu Chen, Zhi-Jian Zhao, Notker Rösch, Decomposition of ethylene on transition metal surfaces M(111). A comparative DFT study of model reactions for M = Pd, Pt, Rh, Ni, Journal of Molecular Catalysis A: Chemical, том:344, 2011, стр.:37-46, Ref, Web of Science 2011
84 Rösch, N., Petrova, G. P., Petkov, P., Genest, A., Krüger, S., Aleksandrov, H. A., Vayssilov, G. N., Impurity Atoms on Small Transition Metal Clusters. Insights from Density Functional Model Studies, Topics in Catalysis, том:54, брой:5-7, 2011, стр.:363-377, doi:10.1007/s11244-011-9667-0, Ref, IF, IF (2.624 - 2011), в сътрудничество с чуждестранни учени 2011
85 Notker Rösch, Galina P. Petrova, Petko St. Petkov, Alexander Genest, Sven Krüger, Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Impurity Atoms on Small Transition Metal Clusters. Insights from Density Functional Model Studies, Topics in Catalysis, том:54, 2011, стр.:363-377, Ref, IR , SCOPUS, SJR (2.972 - 2011), в сътрудничество с чуждестранни учени 2011
86 Zhi-Jian Zhao, Lyudmila V. Moskaleva, Hristiyan A. Aleksandrov, Duygu Basaran, Notker Rösch, Ethylidyne Formation from Ethylene over Pt(111): A Mechanistic Study from First-Principle Calculations, The Journal of Physical Chemistry C, том:114, 2010, стр.:12190-12201, Ref, Web of Science 2010
87 Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Theoretical investigation of ethane dehydrogenation on cationic Zn species in ZSM-5 zeolites—The second Al center in vicinity of the cation is essential for the accomplishment of the complete catalytic cycle, Catalysis Today, том:152, 2010, стр.:78-87, Ref, Web of Science 2010
88 Zhao-Xu Chen, Hristiyan A. Aleksandrov, Duygu Basaran, Notker Rösch, Transformations of Ethylene on the Pd(111) Surface: A Density Functional Study, The Journal of Physical Chemistry C, том:114, 2010, стр.:17683-17692, Ref, Web of Science 2010
89 Lyudmila V. Moskaleva, Zhao-Xu Chen, Hristiyan A. Aleksandrov, Amjad Basha Mohammed, Qiao Sun, Notker Rösch, Ethylene Conversion to Ethylidyne over Pd(111): Revisiting the Mechanism with First-Principles Calculations, The Journal of Physical Chemistry C, том:113, брой:6, 2009, стр.:2512-2520, Ref, Web of Science 2009
90 Lyudmila V. Moskaleva, Hristiyan A. Aleksandrov, Duygu Basaran, Zhi-Jian Zhao, Notker Rösch, Ethylidyne Formation from Ethylene over Pd(111): Alternative Routes from a Density Functional Study, The Journal of Physical Chemistry C, том:113, брой:34, 2009, стр.:15373-15379, Ref, Web of Science 2009
91 Sergey M. Kozlov, Ilya V. Yudanov, Hristiyan A. Aleksandrov, Notker Rösch, Theoretical study of carbon species on Pd(111): competition between migration of C atoms to the subsurface interlayer and formation of Cn clusters on the surface, Physical Chemistry Chemical Physics, том:11, 2009, стр.:10955-10963, Ref, Web of Science 2009
92 Еlena Ivanova, Mihail Mihaylov, Hristiyan A. Aleksandrov, Marco Daturi, Frederic Thibault-Starzyk, Georgi N. Vayssilov, Notker Rösch, Konstantin I. Hadjiivanov, Unusual Carbonyl-Nitrosyl Complexes of Rh2+ in Rh-ZSM-5: A Combined FTIR Spectroscopy and Computational Study, The Journal of Physical Chemistry C, том:111, 2007, стр.:10412-10418, Ref, Web of Science 2007
93 Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Notker Rösch, Heterolytic dissociation and recombination of H2 over Zn,H-ZSM-5 zeolites - a density functional model study, Journal of Molecular Catalysis A: Chemical, том:256, 2006, стр.:149-155, Ref, Web of Science 2006
94 Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Notker Rösch, Theoretical investigation of Zn-containing species in pores of ZSM-5 zeolites, Studies of Surface Science and Catalysis, том:158A, 2005, стр.:593-600, Ref, Web of Science 2005
95 Hristiyan A. Aleksandrov, Georgi N. Vayssilov, Notker Rösch, Theoretical investigation of the coordination of N2 ligands to the cluster Ni3, The Journal of Physical Chemistry A, том:108, 2004, стр.:6127-6144, Ref, Web of Science, в сътрудничество с чуждестранни учени 2004
Статия в поредица
1 Koleva, Iskra Z., Aleksandrov, Hristiyan A., Vayssilov, Georgi N., Comparison of the Reactivity of Platinum Cations and Clusters Supported on Ceria or Alumina in Carbon Monoxide Oxidation, ACS CATALYSIS, 2023, pages:5358-5374, ISSN (print):2155-5435, doi:10.1021/acscatal.3c01146 2023
2 Drenchev, Nikola L., Ivanova, Elena Z., Mihaylov, Mihail Y., Aleksandrov, Hristiyan A., Vayssilov, Georgi N., Hadjiivanov, Konstantin I., One Ca2+Site in CaNaY Zeolite Can Attach Three CO2 Molecules, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, 2023, pages:1564-1569, ISSN (print):1948-7185, doi:10.1021/acs.jpclett.2c03294 2023
3 Khivantsev, Konstantin, Jaegers, Nicholas R, Aleksandrov, Hristiyan A, Song, Inhak, Pereira-Hernandez, Xavier Isidro, Engelhard, Mark H, Tian, Jinshu, Chen, Linxiao, Motta Meira, Debora, Kovarik, Libor, Single Ru(II) Ions on Ceria as a Highly Active Catalyst for Abatement of NO., Journal of the American Chemical Society, 2023, ISSN (online):1520-5126, doi:10.1021/jacs.2c09873 2023
4 Pique, Oriol, Koleva, Iskra Z., Bruix, Albert, Vines, Francesc, Aleksandrov, Hristiyan A. ., Vayssilov, Georgi N., Illas, Francesc, Charting the Atomic C Interaction with Transition Metal Surfaces, ACS CATALYSIS, 2022, ISSN (print):2155-5435, doi:10.1021/acscatal.2c01562 2022
Статия в сборник (на конференция и др.)
1 Vayssilov, Georgi, Aleksandrov, Hristiyan, Koleva, Iskra, Computational modeling of stability and properties of cerium dioxide supported platinum clusters and isolated platinum species, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, vol:257, 2019, ISSN (print):0065-7727 2019
2 Aleksandrov, Hristiyan A., Neyman, Konstantin M., Vayssilov, Georgi N., CO adsorption on mononuclear platinum species supported on nanoparticulate ceria, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, vol:248, 2014, ISSN (print):0065-7727 2014
3 Vayssilov, Georgi N., St Petkov, Petko, Aleksandrov, Hristiyan A., Stepwise formation and relative stability of T-atom vacancies in zeolites: A periodic density functional study, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, vol:248, 2014, ISSN (print):0065-7727 2014
4 Vayssilov, Georgi N., Aleksandrov, Hristiyan A., St Petkov, Petko, Density functional modeling of carbon monoxide adsorption on transition metal ions related to production of ultrapure hydrogen, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, vol:243, 2012, ISSN (print):0065-7727 2012
5 Vayssilov, Georgi N., Mihaylov, Mihail, St Petkov, Petko, Hadjiivanov, Konstantin I., Aleksandrov, Hristiyan A., Neyman, Konstantin M., Structure and spectral features of adsorbed species on nanostructured ceria catalysts, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, vol:243, 2012, ISSN (print):0065-7727 2012
6 Aleksandrov, Hristiyan A., Zhao, Zhi-Jian, Basaran, Duygu, Moskaleva, Lyudmila V., Chen, Zhao-Xu, Mei, Donghai, Roesch, Notker, Mechanistic study of ethylene conversion to ethylidyne on M(111) (M = Pd, Pt) with DFT and kinetic Monte Carlo simulations, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, vol:239, 2010, ISSN (print):0065-7727 2010
7 Genest, Alexander, Aleksandrov, Hristiyan, Parker, Shane M., Metzner, Manuela, Shor, Aleksey M., Nasluzov, Vladimir A., Gates, Bruce C., Roesch, Notker, PHYS 427-Small tantalum species on amorphous silica: DFT calculations reveal a notable flexibility of the support, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, vol:237, 2009, ISSN (print):0065-7727 2009
Участие в конференция
1 Секционен доклад, Hristiyan Aleksandrov, DFT MODELING OF TRANSITION METAL NANOPARTICLES AND ZEOLITE SYSTEMS AND THEIR CATALYTIC PROPERTIES 2020
2 Секционен доклад, Hristiyan Aleksandrov, DFT modeling of zeolite and transition metal systems relevant for catalytic applications 2019
3 Секционен доклад, Hristiyan Aleksandrov, DFT modeling of nanomaterials used as catalysts 2019
4 Постер, Hristiyan Aleksandrov, Modeling of CO adsorption on Au nanoparticles and Au clusters supported on ceria nanoparticles 2019
5 Секционен доклад, Hristiyan Aleksandrov, Modeling of metal and metal oxides systems relevant for catalytic applications 2018
6 Секционен доклад, Hristiyan Aleksandrov, Modeling of transition Metal species and their complexes in the Pores of Zeolites 2018
7 Секционен доклад, Hristiyan Aleksandrov, Nanoparticle models relevant for catalytic applications 2018
8 Секционен доклад, Християн Александров, Modeling of Fe-containing species in the Pores of ZSM-5 Zeolite 2017
9 Секционен доклад, Hristiyan Aleksandrov, Modeling of zeolite and metal systems relevant for catalytic applications: a theoretical study 2017
10 Секционен доклад, Hristiyan Aleksandrov, Modeling of Fe- and W-containing species in the Pores of ZSM-5 Zeolite 2017
11 Секционен доклад, Hristiyan Aleksandrov, Quantum-chemical modeling of zeolites containing transition metal ions 2017
12 Секционен доклад, Hristiyan Aleksandrov, Modelling of ceria surface and nanoparticle models doped by Y3+ cations relevant for environmental applications 2017
13 Секционен доклад, Hristiyan Aleksandrov, Simulations of IR vibrational frequencies of CO adsorbed on isolated and supported on ceria platinum species: a density functional study 2016
14 Секционен доклад, Hristiyan Aleksandrov, Quantum chemical modeling of sorbents, catalysts and catalytic reactions 2016
15 Секционен доклад, Hristiyan Aleksandrov, Modeling of transition metal nanoparticles relevant for catalytic applications 2016
16 Секционен доклад, Hristiyan Aleksandrov, Modeling of spectral and catalytic properties of supported transition metal species 2016
17 Секционен доклад, Hristiyan Aleksandrov, Modeling of periodic systems 2015
18 Секционен доклад, Hristiyan Aleksandrov, Elucidation of the vibrational spectra of CO adsorbed on different platinum species on ceria 2015
19 Секционен доклад, Hristiyan Aleksandrov, Density functional modelling of carbonyl and mixed carbonyl complexes of rhodium cations in zeolites 2015
20 Секционен доклад, Hristiyan Aleksandrov, Theoretical study of CO interaction with mononuclear platinum species supported on nanoparticulate ceria 2014
21 Секционен доклад, Hristiyan Aleksandrov, Synthesis and Modelling of HY zeolite-supported Rhodium Carbonyl Hydride Complexes 2014
22 Секционен доклад, Hristiyan Aleksandrov, Adsorption of CO on mononuclear platinum species supported on nanoparticulate ceria 2014
23 Секционен доклад, Hristiyan Aleksandrov, Relative stability of mononuclear platinum species supported on nanoparticulate ceria and adsorption of CO on them 2014
24 Секционен доклад, Hristiyan Aleksandrov, Framework stability of heteroatom substituted Ge-silicate ITQ-44: a periodic DFT study 2013
25 Секционен доклад, Hristiyan Aleksandrov, Computational Modeling of the Influence of Surface H and/or Subsurface C Atoms on Hydrogen Absorption Capacity of Pd Nanoparticles 2013
26 Секционен доклад, Hristiyan Aleksandrov, Tuning the Surface Chemistry of Hydrogen on Pd Surface by Atomic C 2013
27 Секционен доклад, Hristiyan Aleksandrov, Distinguishing different Pt sites in Pt/CeO2 via CO Adsorption: A DFT Study 2013
28 Секционен доклад, Християн Александров, Трансформации на етилен върху Pd(111) и Pt(111) - теоретично изследване 2013
29 Секционен доклад, Християн Александров, Transformations of hydrocarbons on transition metal surfaces and nanoparticles 2013
30 Секционен доклад, Християн Александров, Realistic first principles description of Pd nanoparticles applied in catalysis and energy technologies 2012
31 Секционен доклад, Християн Александров, Realistic models of palladium nanoparticles for hydrogen storage 2012
32 Секционен доклад, Християн Александров, Modification of Palladium Nanoparticles by the Surface and Subsurface H and C species 2012
33 Секционен доклад, Християн Александров, Tuning surface chemistry of Pd by atomic C and H: A microscopic picture 2012
34 Секционен доклад, Християн Александров, Development of Models for Density Functional Studies of Hydrogen Storage in Palladium Nanostructures 2012
35 Секционен доклад, Hristiyan A. Aleksandrov, Transformations of Ethylene on Pd(111) and Pt(111) Surfaces 2011
36 Секционен доклад, Християн Александров, Computational study of the capability of transition metal exchanged zeolites for purification of hydrogen for fuel cell applications 2011
37 Секционен доклад, Християн Александров, CO adsorption on Ni-exchanged zeolites: DFT and FTIR study 2010
38 Секционен доклад, Hristiyan Aleksandrov, Computational study of the catalytic activity of zinc species at paired and isolated aluminum centers in ZSM-5 zeolite in ethane dehydrogenation 2009
39 Секционен доклад, Hristiyan Aleksandrov, Ethylene decomposition at surfaces of late transition metals 2009
40 Секционен доклад, Hristiyan Aleksandrov, Ethylene conversion to ethylidyne on Pd(111) and Pt(111):kinetic Monte Carlo simulations 2009
41 Секционен доклад, Hristiyan Aleksandrov, Density functional study of interaction/activation of N2 with ligated transition metal clusters 2007
42 Секционен доклад, Hristiyan Aleksandrov, Theoretical Investigation of Cationic Zn-containing Species in Zn,H-ZSM-5 Zeolites – QM/MM Models 2007
43 Секционен доклад, Hristiyan Aleksandrov, Modeling of Zn-species in zeolites. Application of an advanced covEPE scheme 2007
44 Секционен доклад, Hristiyan Aleksandrov, Modeling of Zn-species in zeolites. Application of an advanced hybrid QM/MM scheme with extended border region 2007
45 Секционен доклад, Hristiyan Aleksandrov, DF modeling of heterolytic dissociation and recombination of H2 on Zn species of Zn,H-ZSM-5 zeolites 2006
46 Секционен доклад, Християн Александров, Хетеролитична дисоциация / рекомбинация на Н2 и етан върху Zn,H-ZSM-5 зеолити - теоретично изследване 2006
47 Секционен доклад, Hristiyan Aleksandrov, Theoretical Study of Cationic Zn-containing Species in Pores of ZSM-5 Zeolites - Embedded vs. Isolated Cluster Models 2006
48 Секционен доклад, Hristiyan Aleksandrov, Theoretical investigation of Zn-containing species in pores of ZSM-5 zeolites 2005
49 Секционен доклад, Hristiyan Aleksandrov, Heterolytic Decomposition of H2 on Zn,H-ZSM-5 2005
50 Секционен доклад, Hristiyan Aleksandrov, Investigation of cationic species in zeolites with DFT/MM hybrid approach 2005
51 Секционен доклад, Hristiyan Aleksandrov, Activation of N2 on ligated transition metal clusters – a model computational study 2004
52 Секционен доклад, Християн Александров, Quantum chemical modeling of Zn species sorbed in ZSM-5 zeolites 2004
53 Секционен доклад, Hristiyan Aleksandrov, Theoretical Investigation of the Coordination of N2 Ligands to Ni3 Cluster 2003
54 Секционен доклад, Християн Александров, Моделиране на комплекси на планарен Ni4 клъстер с N2 лиганди-възможности за активиране на азотна молекула 2003
55 Секционен доклад, Hristiyan Aleksandrov, Coordination of N2 ligands to Ni3 cluster in gas phase 2003
56 Секционен доклад, Християн Александров, Modeling of the complexes of Ni3 cluster with N2 – destruction processes by large number of ligands 2002
57 Секционен доклад, Християн Александров, Theoretical Investigation of the Coordination of N2 Ligands to Nickel Clusters 2001
58 Секционен доклад, Hristiyan Aleksandrov, STM and STS on Graphite. Do Phonon Modes Play a Role? 2001
Участие в редколегия
Hristiyan Aleksandrov, Molecules, Участие в редколегия 2020
Учебно помагало
Nevena Petkova-Yankova, Nikola Burdzhiev, Hristiyan A. Aleksandrov, Rositca D. Nikolova, Geogi N. Vayssilov, Ръководство за лабораторни упражнения със сборник от задачи по Органична химия за студентите от специалност „Фармация” 2019