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- Eduard Matito, Jerzy Cioslowski, Sergei F. Vyboishchikov
- Physical chemistry chemical physics : PCCP
- 2010

When used in conjunction with appropriate extrapolation schemes, full configuration interaction (FCI) calculations employing systematic sequences of spherical Gaussian primitives with even-temperedâ€¦ (More)

- Sergei F. Vyboishchikov, Michael BÃ¼hl, Walter Thiel
- Chemistry
- 2002

Gradient-corrected (BP86) density functional calculations were used to study alternative mechanisms of the metathesis reactions between ethene and model catalysts [(PH(3))(L)Cl(2)Ru[doubleâ€¦ (More)

- Sergei F. Vyboishchikov
- Journal of Computational Chemistry
- 2015

In this work, local exchange potentials corresponding to the Hartree-Fock (HF) electron density have been obtained using the Zhao-Morrison-Parr method for a number of closed-shell confined atoms andâ€¦ (More)

- Terry H. S. Chu, Sergei F. Vyboishchikov, Bulat M Gabidullin, Georgii I Nikonov
- Angewandte Chemie
- 2016

The treatment of cyclic thioureas with the aluminum(I) compound NacNacAl (1; NacNac=[ArNC(Me)CHC(Me)NAr]- , Ar=2,6-Pri2 C6 H3 ) resulted in oxidative cleavage of the C=S bond and the formation of 3â€¦ (More)

- Sergei F. Vyboishchikov
- Chemphyschem : a European journal of chemicalâ€¦
- 2017

We propose a simple method of calculating the electron correlation energy density ec (r) and the correlation potential Vc (r) from second-order MÃ¸ller-Plesset amplitudes and its generalization forâ€¦ (More)

We have performed a computational study of the C-C coupling reaction between coordinated ethylene and two vinyl ligands in the binuclear bis(vinyl)-ethylene complex CpRu(Î·-C2H4)(Î¼-Î·:Î·-CHCH2)2RuCp (1)â€¦ (More)

- Samat Tussupbayev, Georgii I Nikonov, Sergei F. Vyboishchikov
- The journal of physical chemistry. A
- 2009

The silylium ion [C(6)(SiMe(2))(SiHMe(2))(5)](+) offers an amazing example of multiple Si...H interactions. It exhibits a symmetric Si(alpha)-H-Si(alpha) motif supported by two additionalâ€¦ (More)

- Sergei F. Vyboishchikov, Anibal Sierraalta, Gernot Frenking
- Journal of Computational Chemistry
- 1997

- Yevhen Horbatenko, Sergei F. Vyboishchikov
- Chemphyschem : a European journal of chemicalâ€¦
- 2011

This work presents a study of intramolecular NHN hydrogen bonds in cations of the following proton sponges: 2,7-bis(trimethylsilyl)-1,8-bis(dimethylamino)naphthalene (1),â€¦ (More)

- Georgii I Nikonov, Sergei F. Vyboishchikov, Lyudmila G Kuzmina, Judith A. K. Howard
- Chemical communications
- 2002

The compound [Cp2Nb(SiMe2I)2H] reacts with H2NBut and HNEt2 to afford the unexpected imido-bridged 1,3-disilaniobocyclobutanes [Cp2Nb(H)((mu-SiR2)2NR)] (R = But (4), Et (5)) exhibiting surprisingâ€¦ (More)