Is graphene aromatic? IA Popov, KV Bozhenko, AI Boldyrev Nano Research 5, 117-123, 2012 | 134 | 2012 |
Inorganic Double‐Helix Structures of Unusually Simple Lithium–Phosphorus Species AS Ivanov, AJ Morris, KV Bozhenko, CJ Pickard, AI Boldyrev Angewandte Chemie-International Edition 51 (33), 8330, 2012 | 63 | 2012 |
A density functional theory study of the zero-field splitting in high-spin nitrenes EY Misochko, DV Korchagin, KV Bozhenko, SV Chapyshev, SM Aldoshin The Journal of chemical physics 133 (6), 2010 | 52 | 2010 |
On the Suppression Mechanism of the Pseudo-Jahn–Teller Effect in Middle E6 (E = P, As, Sb) Rings of Triple-Decker Sandwich Complexes AS Ivanov, KV Bozhenko, AI Boldyrev Inorganic Chemistry 51 (16), 8868-8872, 2012 | 41 | 2012 |
Molecular wheel to monocyclic ring transition in boron–carbon mixed clusters C 2 B 6− and C 3 B 5− TR Galeev, AS Ivanov, C Romanescu, WL Li, KV Bozhenko, LS Wang, ... Physical Chemistry Chemical Physics 13 (19), 8805-8810, 2011 | 36 | 2011 |
Hydrated Sulfate Clusters SO42–(H2O)n (n = 1–40): Charge Distribution Through Solvation Shells and Stabilization M Kulichenko, N Fedik, KV Bozhenko, AI Boldyrev The Journal of Physical Chemistry B 123 (18), 4065-4069, 2019 | 35 | 2019 |
A comparative study of small 3d-metal oxide (FeO) n,(CoO) n, and (NiO) n clusters GL Gutsev, KG Belay, KV Bozhenko, LG Gutsev, BR Ramachandran Physical Chemistry Chemical Physics 18 (40), 27858-27867, 2016 | 30 | 2016 |
Peculiar Transformations in the CxHxP4–x (x = 0–4) Series AS Ivanov, KV Bozhenko, AI Boldyrev Journal of Chemical Theory and Computation 8 (1), 135-140, 2012 | 24 | 2012 |
Structural changes in the series of boron-carbon mixed clusters CxB10-x−(x= 3-10) upon substitution of boron by carbon IA Popov, VF Popov, KV Bozhenko, I Černušák, AI Boldyrev The Journal of Chemical Physics 139 (11), 2013 | 23 | 2013 |
Inorganic Molecular Electride Mg4O3: Structure, Bonding, and Nonlinear Optical Properties M Kulichenko, N Fedik, KV Bozhenko, AI Boldyrev Chemistry–A European Journal 25 (20), 5311-5315, 2019 | 22 | 2019 |
Comparison of pure and hybrid DFT functionals for geometry optimization and calculation of redox potentials for iron nitrosyl complexes with “μ-SCN” bridging ligands N Emel’yanova, N Sanina, A Krivenko, R Manzhos, K Bozhenko, ... 8th Congress on Electronic Structure: Principles and Applications (ESPA 2012 …, 2014 | 19 | 2014 |
Synthesis, structure, and properties of a new representative of the family of calix[4]arene-containing [MnII 2MnIII 2]-clusters SM Aldoshin, IS Antipin, VI Ovcharenko, SE Solov’eva, AS Bogomyakov, ... Russian Chemical Bulletin 62, 536-542, 2013 | 18 | 2013 |
The energy parameters of 2, 4, 6, 8, 10, 12-hexanitro-2, 4, 6, 8, 10, 12-hexaazaisowurtzitane polymorphs and their phase transitions NI Golovina, AN Utenyshev, KV Bozhenko, NV Chukanov, VV Zakharov, ... Russian Journal of Physical Chemistry A 83, 1153-1159, 2009 | 15 | 2009 |
Ab initio molecular orbital studies on a singlet-triplet splitting of C3H6 and C4H8 molecules AA Ovchinnikov, IL Shamovsky, KV Bozhenko Journal of Molecular Structure: THEOCHEM 251, 141-151, 1991 | 15 | 1991 |
Ab initio calculations of minimum-energy pathways of the nucleophilic addition of the H− anion, LiH molecule and Li+/H− ion pair to acetylene and methylacetylene NM Klimenko, KV Bozhenko, EV Strunina, EA Rykova, ON Temkin Journal of Molecular Structure: THEOCHEM 490 (1-3), 233-241, 1999 | 14 | 1999 |
Transitions from Stable to Metastable States in the Cr2On and Cr2On– Series, n = 1–14 GL Gutsev, KV Bozhenko, LG Gutsev, AN Utenyshev, SM Aldoshin The Journal of Physical Chemistry A 121 (4), 845-854, 2017 | 12 | 2017 |
Experimental and theoretical study of the influence of peripheral environment on magnetic properties of tetranuclear manganese skeleton in new representatives of calix [4 … SM Aldoshin, IS Antipin, SE Solov’eva, NA Sanina, DV Korchagin, ... Journal of Molecular Structure 1081, 217-223, 2015 | 12 | 2015 |
Magnetic exchange coupling in transition metal complexes with bidentate bridging ligands: a quantum chemical study DV Korchagin, AN Utenyshev, KV Bozhenko, NA Sanina, SM Aldoshin Russian Chemical Bulletin 60, 1040-1044, 2011 | 12 | 2011 |
The dehydrogenation of isopropanol on a nickel-manganese catalyst subjected to treatment in glow-discharge oxygen, argon, and hydrogen plasmas VD Yagodovskii, KV Bozhenko, TV Yagodovskaya, AA Trofimova, ... Russian Journal of Physical Chemistry A 82, 50-55, 2008 | 12 | 2008 |
THEORETICAL-STUDY OF STABILITY AND STRUCTURE OF LIBEH3, LIBEF3 AND LINO3 MOLECULES, USING AB-INITIO CALCULATIONS VG Zakzhevskii, AI Boldyrev, OP Charkin, KV Bozhenko, NM Klimenko ZHURNAL NEORGANICHESKOI KHIMII 24 (12), 3171-3176, 1979 | 11 | 1979 |