All-boron aromatic clusters as potential new inorganic ligands and building blocks in chemistry AN Alexandrova, AI Boldyrev, HJ Zhai, LS Wang
Coordination Chemistry Reviews 250 (21-22), 2811-2866, 2006
717 2006 Hepta‐and octacoordinate boron in molecular wheels of eight‐and nine‐atom boron clusters: Observation and confirmation HJ Zhai, AN Alexandrova, KA Birch, AI Boldyrev, LS Wang
Angewandte Chemie International Edition 42 (48), 6004-6008, 2003
565 2003 Structure of the ab initio genetic algorithm and photoelectron spectroscopy AN Alexandrova, AI Boldyrev, YJ Fu, X Yang, XB Wang, LS Wang
The Journal of chemical physics 121 (12), 5709-5719, 2004
304 2004 Electronic structure and chemical bonding of ab initio calculations HJ Zhai, LS Wang, AN Alexandrova, AI Boldyrev
The Journal of Chemical Physics 117 (17), 7917-7924, 2002
274 2002 Structure and Bonding in B6 - and B6 : Planarity and Antiaromaticity AN Alexandrova, AI Boldyrev, HJ Zhai, LS Wang, E Steiner, PW Fowler
The Journal of Physical Chemistry A 107 (9), 1359-1369, 2003
252 2003 Search for the Lin 0/+1/-1 (n = 5−7) Lowest-Energy Structures Using the ab Initio Gradient Embedded Genetic Algorithm (GEGA). Elucidation of the Chemical … AN Alexandrova, AI Boldyrev
Journal of chemical theory and computation 1 (4), 566-580, 2005
250 2005 Electronic Structure, Isomerism, and Chemical Bonding in B7 - and B7 AN Alexandrova, AI Boldyrev, HJ Zhai, LS Wang
The Journal of Physical Chemistry A 108 (16), 3509-3517, 2004
246 2004 Photoelectron Spectroscopy and ab Initio Study of B3 - and B4 - Anions and Their Neutrals HJ Zhai, LS Wang, AN Alexandrova, AI Boldyrev, VG Zakrzewski
The Journal of Physical Chemistry A 107 (44), 9319-9328, 2003
240 2003 σ-Aromaticity and σ-antiaromaticity in alkali metal and alkaline earth metal small clusters AN Alexandrova, AI Boldyrev
The Journal of Physical Chemistry A 107 (4), 554-560, 2003
237 2003 Ensembles of metastable states govern heterogeneous catalysis on dynamic interfaces Z Zhang, B Zandkarimi, AN Alexandrova
Accounts of chemical research 53 (2), 447-458, 2020
213 2020 Fluxionality of catalytic clusters: when it matters and how to address it H Zhai, AN Alexandrova
ACS Catalysis 7 (3), 1905-1911, 2017
202 2017 Molecular Wheel B8 2 - as a New Inorganic Ligand. Photoelectron Spectroscopy and ab Initio Characterization of LiB8 - AN Alexandrova, HJ Zhai, LS Wang, AI Boldyrev
Inorganic chemistry 43 (12), 3552-3554, 2004
180 2004 The role of alkali metal cations and platinum-surface hydroxyl in the alkaline hydrogen evolution reaction AH Shah, Z Zhang, Z Huang, S Wang, G Zhong, C Wan, AN Alexandrova, ...
Nature Catalysis 5 (10), 923-933, 2022
176 2022 Mysteries of metals in metalloenzymes CE Valdez, QA Smith, MR Nechay, AN Alexandrova
Accounts of chemical research 47 (10), 3110-3117, 2014
175 2014 Amorphous nickel hydroxide shell tailors local chemical environment on platinum surface for alkaline hydrogen evolution reaction C Wan, Z Zhang, J Dong, M Xu, H Pu, D Baumann, Z Lin, S Wang, ...
Nature Materials 22 (8), 1022-1029, 2023
154 2023 Ethylene Dehydrogenation on Pt4,7,8 Clusters on Al2 O3 : Strong Cluster Size Dependence Linked to Preferred Catalyst Morphologies ET Baxter, MA Ha, AC Cass, AN Alexandrova, SL Anderson
Acs Catalysis 7 (5), 3322-3335, 2017
148 2017 Ensemble-average representation of Pt clusters in conditions of catalysis accessed through GPU accelerated deep neural network fitting global optimization H Zhai, AN Alexandrova
Journal of chemical theory and computation 12 (12), 6213-6226, 2016
148 2016 Why urea eliminates ammonia rather than hydrolyzes in aqueous solution AN Alexandrova, WL Jorgensen
The Journal of Physical Chemistry B 111 (4), 720-730, 2007
139 2007 Building structures atom by atom via electron beam manipulation O Dyck, S Kim, E Jimenez‐Izal, AN Alexandrova, SV Kalinin, S Jesse
Small 14 (38), 1801771, 2018
125 2018 Boron Switch for Selectivity of Catalytic Dehydrogenation on Size-Selected Pt Clusters on Al2 O3 MA Ha, ET Baxter, AC Cass, SL Anderson, AN Alexandrova
Journal of the American Chemical Society 139 (33), 11568-11575, 2017
124 2017 