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List of works by Sergei F Vyboishchikov

A Hirshfeld Partitioning of the MP2 Correlation Energy: Method and Its Application to the Benzene Dimers

scientific article published on 21 June 2011

A Simple Local Correlation Energy Functional for Spherically Confined Atoms from ab Initio Correlation Energy Density

scientific article published on 3 September 2017

A simple COSMO-based method for calculation of hydration energies of neutral molecules

scientific article published on 01 August 2019

A simple model for calculating atomic charges in molecules

scientific article published on 01 September 2018

Cationic silane sigma-complexes of ruthenium with relevance to catalysis

scientific article published on 01 May 2010

Correlation energy, correlated electron density, and exchange-correlation potential in some spherically confined atoms

scientific article published on 12 October 2016

Cp(Pri2MeP)FeH2SiR3: nonclassical iron silyl dihydride

scientific article published on 04 March 2008

Cp*(iPr3P)Ru(Cl)(eta2-HSiClMe2): the first complex with simultaneous Si-H and RuCl...SiCl inter-ligand interactions

scientific article published on 27 May 2005

Density functional energy decomposition into one- and two-atom contributions

scientific article published on 01 June 2005

Dynamics of Si-H-Si bridges in agostically stabilized silylium ions

scientific article published on 01 February 2009

Facile activation of H-H and Si-H bonds by boranes

scientific article published on 15 March 2012

Fast and accurate calculation of hydration energies of molecules and ions

scientific article published on 29 June 2020

Fast non‐iterative calculation of solvation energies for water and non‐aqueous solvents

scientific article published on 12 April 2021

Hydrogen Motion in Proton Sponge Cations: A Theoretical Study ⬇️

scientific article published on March 22, 2011

Iterative Atomic Charge Partitioning of Valence Electron Density

scientific article published on 07 January 2019

Mechanism of olefin metathesis with catalysis by ruthenium carbene complexes: density functional studies on model systems

scientific article published on 01 September 2002

Modeling exact exchange potential in spherically confined atoms

scientific article published on 10 August 2015

Oxidative Cleavage of C=S and P=S Bonds at an Al(I) Center: Preparation of Terminally Bound Aluminum Sulfides

scientific article published on 21 September 2016

Oxidative Cleavage of the C═N Bond on Al(I).

scientific article published on 13 June 2017

Persistent silylium ions stabilized by polyagostic Si--HSi interactions

scientific article published on 01 January 2007

Properties of harmonium atoms from FCI calculations: Calibration and benchmarks for the ground state of the two-electron species

scientific article

Ring-closing olefin metathesis on ruthenium carbene complexes: model DFT study of stereochemistry

scientific article

Two complementary molecular energy decomposition schemes: the Mayer and Ziegler-Rauk methods in comparison

scientific article published on 01 October 2008

Unique {H(SiR(3))(2)}, (H(2)SiR(3)), H(HSiR(3)), and (H(2))SiR(3) ligand sets supported by the {Fe(Cp)(L)} platform (L=CO, PR(3))

scientific article published on 01 November 2006

Unusual Reactions of NacNacAl with Urea and Phosphine Oxides.

scientific article

Versatile and cooperative reactivity of a triruthenium polyhydride cluster. A computational study.

scientific article published in August 2003

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