Electron invariants and excited state structural analysis for electronic transitions within CIS, RPA, and TDDFT models AV Luzanov, OA Zhikol International Journal of Quantum Chemistry 110 (4), 902-924, 2010 | 156 | 2010 |
Electron density distribution in stacked benzene dimers: a new approach towards the estimation of stacking interaction energies OA Zhikol, OV Shishkin, KA Lyssenko, J Leszczynski The Journal of chemical physics 122 (14), 2005 | 115 | 2005 |
Adsorption of sarin and soman on dickite: An ab initio ONIOM study A Michalkova, L Gorb, M Ilchenko, OA Zhikol, OV Shishkin, J Leszczynski The Journal of Physical Chemistry B 108 (6), 1918-1930, 2004 | 64 | 2004 |
Non-flipping 13C spins near an NV center in diamond: hyperfine and spatial characteristics by density functional theory simulation of the C510 [NV] H252 cluster AP Nizovtsev, SY Kilin, AL Pushkarchuk, VA Pushkarchuk, SA Kuten, ... New Journal of Physics 20 (2), 023022, 2018 | 63 | 2018 |
Conformational analysis of canonical 2-deoxyribonucleotides. 2. Purine nucleotides OV Shishkin, L Gorb, OA Zhikol, J Leszczynski Journal of Biomolecular Structure and Dynamics 22 (2), 227-243, 2004 | 60 | 2004 |
Theoretical study of adsorption of Sarin and Soman on tetrahedral edge clay mineral fragments A Michalkova, J Martinez, OA Zhikol, L Gorb, OV Shishkin, D Leszczynska, ... The Journal of Physical Chemistry B 110 (42), 21175-21183, 2006 | 48 | 2006 |
Conformational analysis of canonical 2-deoxyribonucleotides. 1. Pyrimidine nucleotides OV Shishkin, L Gorb, OA Zhikol, J Leszczynski Journal of Biomolecular Structure and Dynamics 21 (4), 537-553, 2004 | 46 | 2004 |
Collectivity, shell openness indices, and complexity measures of multiconfigurational states: Computations within full CI scheme AV Luzanov, OA Zhikol International journal of quantum chemistry 104 (2), 167-180, 2005 | 38 | 2005 |
Excited state structural analysis: TDDFT and related models AV Luzanov, OA Zhikol Practical aspects of computational chemistry I: An overview of the last two …, 2012 | 26 | 2012 |
Practical aspects of computational chemistry I: An overview of the last two decades and current trends AV Luzanov, OA Zhikol, J Leszczynski, MK Shukla Springer, 2012 | 25 | 2012 |
Non-nuclear attractors on Si–Si bond in quantum-chemical modeling as basis set inadequacy OA Zhikol, AF Oshkalo, OV Shishkin, OV Prezhdo Chemical Physics 288 (2-3), 159-169, 2003 | 21 | 2003 |
Estimating stacking interaction energy using atom in molecules properties: Homodimers of benzene and pyridine OA Zhikol, OV Shishkin International Journal of Quantum Chemistry 112 (18), 3008-3017, 2012 | 13 | 2012 |
Theoretical study of adsorption of methyl tert‐butyl ether on broken clay minerals surfaces A Michalkova, LD Johnson, L Gorb, OA Zhikol, OV Shishkin, ... International journal of quantum chemistry 105 (4), 325-340, 2005 | 10 | 2005 |
Excited state structural analysis (ESSA) for correlated states of spin-flip type: application to electronic excitations in nanodiamonds with defects AV Luzanov, OA Zhikol Functional materials, 2016 | 8 | 2016 |
A quantum chemical approach towards understanding stability and tautomerism of 2-imino-2 H-pyran derivatives MA Vodolazhenko, NY Gorobets, OA Zhikol, SM Desenko, OV Shishkin RSC advances 6 (57), 52201-52211, 2016 | 8 | 2016 |
Low molecular weight supramolecular dehydroepiandrosterone-based gelators: synthesis and molecular modeling study OA Zhikol, SV Shishkina, VV Lipson, AN Semenenko, AV Mazepa, ... New Journal of Chemistry 43 (33), 13112-13121, 2019 | 6 | 2019 |
A semiempirical description of functionalized nanodiamonds with NV-color centers AV Luzanov, OA Zhikol, IV Omelchenko, AP Nizovtsev, SY Kilin, ... Functional materials, 2016 | 5 | 2016 |
The nature of bathochromic shift in the solvated chloranilic acid: A quantum chemical approach TA Blank, OV Shishkin, OA Zhikol, GV Palamarchuk, LP Eksperiandova Journal of Molecular Liquids 211, 187-191, 2015 | 4 | 2015 |
Theoretical study of adsorption of methyl tert‐butyl ether on the substituted tetrahedral surface of dickite A Michalkova, L Gorb, OA Zhikol, J Leszczynski International journal of quantum chemistry 100 (5), 818-831, 2004 | 4 | 2004 |
On the spectrum of the polyallyl spin chain OA Zhikol, VO Cheranovskiĭ Low Temperature Physics 22 (7), 609-612, 1996 | 4 | 1996 |