Results: 44
Alexander A. Voityuk, Sergei F. Vyboishchikov
A simple COSMO-based method for calculation of hydration energies of neutral molecules
Phys. Chem. Chem. Phys., 2019, 21, 18706-18713
DOI: 10.1039/C9CP03010GKeywords: Ab initio theory, Computational chemistry, Method development
Alexander A. Voityuk, Anton J. Stasyuk, Sergei F. Vyboishchikov
A simple model for calculating atomic charges in molecules
Phys. Chem. Chem. Phys., 2018, 20, 23328-23337
DOI: 10.1039/c8cp03764gKeywords: Ab initio theory, Chemical bonding, Computational chemistry, Method development, Real-space analysis
Sergei F. Vyboishchikov
A Simple Local Correlation Energy Functional for Spherically Confined Atoms from ab Initio Correlation Energy Density
Chem. Phys. Chem., 2017, 18, 3478–3484
DOI: 10.1002/cphc.201700774
Terry Chu, Sergei F. Vyboishchikov, Bulat M. Gabidullin, Georgii I. Nikonov
Unusual Reactions of NacNacAl with Urea and Phosphine Oxides
Inorg. Chem., 2017, 56, 5993-5997
DOI: 10.1021/acs.inorgchem.7b00716Keywords: Computational chemistry, Organometallics
Terry Chu, Sergei F. Vyboishchikov, Bulat M. Gabidullin, Georgii I. Nikonov
Oxidative Cleavage of the C=N Bond on Al(I)
J. Am. Chem. Soc., 2017, 139, 8804–8807
DOI: 10.1021/jacs.7b04841
Terry Chu, Sergei F. Vyboishchikov, Bulat Gabidullin, Georgii I. Nikonov
Oxidative Cleavage of C=S and P=S Bonds at an AlI Center: Preparation of Terminally Bound Aluminum Sulfides
Angew. Chem. Int. Ed., 2016, 55, 13306–13311
DOI: 10.1002/anie.201607735
Sergei F. Vyboishchikov
Correlation energy, correlated electron density, and exchange-correlation potential in some spherically confined atoms
J. Comp. Chem., 2016, 37, 2677-2686
DOI: 10.1002/jcc.24493
Sergei F. Vyboishchikov
Modeling exact exchange potential in spherically confined atoms
J. Comput. Chem., 2015, 36, 2037-2043
DOI: 10.1002/jcc.24040
Georgii I. Nikonov, Sergei F. Vyboishchikov, Oleg G. Shirobokov, Razvan Simionescu
Serendipitous Metal-Catalyzed H-H/Si-H Exchange
Eur. J. Inorg. Chem., 2014, 2014, 2896-2901
DOI: 10.1002/ejic.201402202
Yevhen Horbatenko, Sergei F. Vyboishchikov
Si⋅⋅⋅H Interligand Interactions in Cobalt(V) and Iridium(V) Bis(silyl)bis(hydride) Complexes
ChemPlusChem, 2013, 78, 1073-1081
DOI: 10.1002/cplu.201300174