Chemical bonding analysis of excited states using the adaptive natural density partitioning method NV Tkachenko, AI Boldyrev Physical Chemistry Chemical Physics 21 (18), 9590-9596, 2019 | 115 | 2019 |
Correlation-informed permutation of qubits for reducing ansatz depth in the variational quantum eigensolver NV Tkachenko, J Sud, Y Zhang, S Tretiak, PM Anisimov, AT Arrasmith, ... PRX Quantum 2 (2), 020337, 2021 | 81 | 2021 |
Novel strongly correlated europium superhydrides DV Semenok, D Zhou, AG Kvashnin, X Huang, M Galasso, IA Kruglov, ... The journal of physical chemistry letters 12 (1), 32-40, 2020 | 59 | 2020 |
Superoctahedral two-dimensional metallic boron with peculiar magnetic properties NV Tkachenko, D Steglenko, N Fedik, NM Boldyreva, RM Minyaev, ... Physical Chemistry Chemical Physics 21 (36), 19764-19771, 2019 | 47 | 2019 |
Direct evaluation of the reactivity of nonheme iron (V)–oxo intermediates toward arenes OY Lyakin, AM Zima, NV Tkachenko, KP Bryliakov, EP Talsi ACS Catalysis 8 (6), 5255-5260, 2018 | 46 | 2018 |
Multiple local σ-aromaticity of nonagermanide clusters NV Tkachenko, AI Boldyrev Chemical Science 10 (22), 5761-5765, 2019 | 42 | 2019 |
Enantioselectivity in the Noyori–Ikariya asymmetric transfer hydrogenation of ketones PA Dub, NV Tkachenko, VK Vyas, M Wills, JS Smith, S Tretiak Organometallics 40 (9), 1402-1410, 2021 | 38 | 2021 |
σ‐Aromaticity‐Induced Stabilization of Heterometallic Supertetrahedral Clusters [Zn6Ge16]4− and [Cd6Ge16]4− HL Xu, IA Popov, NV Tkachenko, ZC Wang, A Muñoz‐Castro, AI Boldyrev, ... Angewandte Chemie 132 (39), 17439-17443, 2020 | 36 | 2020 |
Stability, electronic, and optical properties of two‐dimensional phosphoborane DV Steglenko, NV Tkachenko, AI Boldyrev, RM Minyaev, VI Minkin Journal of Computational Chemistry 41 (15), 1456-1463, 2020 | 35 | 2020 |
Highly Efficient Aromatic C−H Oxidation with H2O2 in the Presence of Iron Complexes of the PDP Family NV Tkachenko, RV Ottenbacher, OY Lyakin, AM Zima, DG Samsonenko, ... ChemCatChem 10 (18), 4052-4057, 2018 | 30 | 2018 |
Record low ionization potentials of alkali metal complexes with crown ethers and cryptands NV Tkachenko, ZM Sun, AI Boldyrev ChemPhysChem 20 (16), 2060-2062, 2019 | 27 | 2019 |
Structure and Bonding in [Sb@In8Sb12]3− and [Sb@In8Sb12]5− C Liu, NV Tkachenko, IA Popov, N Fedik, X Min, CQ Xu, J Li, JE McGrady, ... Angewandte Chemie International Edition 58 (25), 8367-8371, 2019 | 27 | 2019 |
Spherical Aromaticity of All‐Metal [Bi@In8Bi12]3−/5− Clusters NV Tkachenko, XW Zhang, L Qiao, CC Shu, D Steglenko, ... Chemistry–A European Journal 26 (9), 2073-2079, 2020 | 26 | 2020 |
Quantum Davidson algorithm for excited states NV Tkachenko, L Cincio, AI Boldyrev, S Tretiak, PA Dub, Y Zhang Quantum Science and Technology 9 (3), 035012, 2024 | 24 | 2024 |
All-metal σ-antiaromaticity in dimeric cluster anion {[CuGe 9 Mes] 2} 4− ZC Wang, NV Tkachenko, L Qiao, E Matito, A Muñoz-Castro, AI Boldyrev, ... Chemical Communications 56 (48), 6583-6586, 2020 | 24 | 2020 |
Highly efficient asymmetric aerobic oxidative coupling of 2-naphthols in the presence of bioinspired iron aminopyridine complexes NV Tkachenko, OY Lyakin, DG Samsonenko, EP Talsi, KP Bryliakov Catalysis Communications 104, 112-117, 2018 | 23 | 2018 |
Transition metal catalyzed aerobic asymmetric coupling of 2-naphthols NV Tkachenko, KP Bryliakov Mini-Reviews in Organic Chemistry 16 (4), 392-398, 2019 | 21 | 2019 |
Bridging Aromatic/Antiaromatic Units: Recent Advances in Aromaticity and Antiaromaticity in Main‐Group and Transition‐Metal Clusters from Bonding and Magnetic Analyses NV Tkachenko, IA Popov, M Kulichenko, N Fedik, ZM Sun, ... European Journal of Inorganic Chemistry 2021 (41), 4239-4250, 2021 | 20 | 2021 |
A sandwich-type cluster containing Ge@Pd3 planar fragment flanked by aromatic nonagermanide caps HL Xu, NV Tkachenko, ZC Wang, WX Chen, L Qiao, A Muñoz-Castro, ... Nature Communications 11 (1), 5286, 2020 | 20 | 2020 |
Optical Stability of 1, 1′-Binaphthyl Derivatives NV Tkachenko, S Scheiner ACS omega 4 (3), 6044-6049, 2019 | 19 | 2019 |