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1

Persistent Silylium Ions Stabilized by Polyagostic SiH⋅⋅⋅Si Interactions

Andrey Y. Khalimon, Zi Hua Lin, R. Simionescu, Sergei F. Vyboishchikov, Georgii I. Nikonov

Journal:

Angewandte Chemie

Year:

2007

Language:

english

File:

PDF, 143 KB

english, 2007

2

Persistent Silylium Ions Stabilized by Polyagostic SiH⋅⋅⋅Si Interactions

Andrey Y. Khalimon, Zi Hua Lin, R. Simionescu, Sergei F. Vyboishchikov, Georgii I. Nikonov

Journal:

Angewandte Chemie International Edition

Year:

2007

Language:

english

File:

PDF, 144 KB

english, 2007

3

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

Matito, Eduard, Cioslowski, Jerzy, Vyboishchikov, Sergei F.

Journal:

Physical Chemistry Chemical Physics

Year:

2010

Language:

english

File:

PDF, 585 KB

english, 2010

4

Topological analysis of electron density distribution taken from a pseudopotential calculation

Vyboishchikov, Sergei F., Sierraalta, Anibal, Frenking, Gernot

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 295 KB

english, 1997

5

Structure and Bonding of Low-Valent (Fischer-Type) and High-Valent (Schrock-Type) Transition Metal Carbene Complexes

Sergei F. Vyboishchikov, Gernot Frenking

Journal:

Chemistry - A European Journal

Year:

1998

Language:

english

File:

PDF, 266 KB

english, 1998

6

Structure and Bonding of Low-Valent (Fischer-Type) and High-Valent (Schrock-Type) Transition Metal Carbyne Complexes

Sergei F. Vyboishchikov, Gernot Frenking

Journal:

Chemistry - A European Journal

Year:

1998

Language:

english

File:

PDF, 240 KB

english, 1998

7

Niobocene Silyl Hydride Complexes with Nonclassical Interligand Hypervalent Interactions

Georgii I. Nikonov, Lyudmila G. Kuzmina, Sergei F. Vyboishchikov, Dmitry A. Lemenovskii, Judith A. K. Howard

Journal:

Chemistry - A European Journal

Year:

1999

Language:

english

File:

PDF, 509 KB

english, 1999

8

Mechanism of Olefin Metathesis with Catalysis by Ruthenium Carbene Complexes: Density Functional Studies on Model Systems

Sergei F. Vyboishchikov, Michael Bühl, Walter Thiel

Journal:

Chemistry - A European Journal

Year:

2002

Language:

english

File:

PDF, 410 KB

english, 2002

9

S(NPMe3)42+ – erste Strukturbestimmung an einem Dikation des sechswertigen Schwefels

Dr. Hella Folkerts, Prof. Dr. Wolfgang Hiller, Dipl.-Chem. Martin Herker, Dipl.-Chem. Sergei F. Vyboishchikov, Prof. Dr. Gernot Frenking, Prof. Dr. Kurt Dehnicke

Journal:

Angewandte Chemie

Year:

1995

Language:

german

File:

PDF, 272 KB

german, 1995

10

S(NPMe3): The First Structure Determination of a Dication of Hexavalent Sulfur

Dr. Hella Folkerts, Prof. Dr. Wolfgang Hiller, Dipl.-Chem. Martin Herker, Dipl.-Chem. Sergei F. Vyboishchikov, Prof. Dr. Gernot Frenking, Prof. Dr. Kurt Dehnicke

Journal:

Angewandte Chemie International Edition

Year:

1995

Language:

english

File:

PDF, 268 KB

english, 1995

11

Se2NBr3, Se2NCl5, Se2NCl-6: New Nitride Halides of Selenium(III) and Selenium(IV)

Dipl.-Chem. Carsten Lau, Priv.-Doz. Dr. Bernhard Neumüller, Dipl.-Chem. Sergei F. Vyboishchikov, Prof. Dr. Gernot Frenking, Prof. Dr. Kurt Dehnicke, Prof. Dr. Wolfgang Hiller, Dipl.-Chem. Martin Herke

Journal:

Chemistry - A European Journal

Year:

1996

Language:

english

File:

PDF, 582 KB

english, 1996

12

Ring-Closing Olefin Metathesis on Ruthenium Carbene Complexes: Model DFT Study of Stereochemistry

Sergei F. Vyboishchikov, Walter Thiel

Journal:

Chemistry - A European Journal

Year:

2005

Language:

english

File:

PDF, 809 KB

english, 2005

13

Unique {H(SiR3)2}, (H2SiR3), H(HSiR3), and (H2)SiR3 Ligand Sets Supported by the {Fe(Cp)(L)} Platform (L=CO, PR3)

Sergei F. Vyboishchikov, Georgii I. Nikonov

Journal:

Chemistry - A European Journal

Year:

2006

Language:

english

File:

PDF, 692 KB

english, 2006

14

ChemInform Abstract: Gas-Phase Vanadium Oxide Anions: Structure and Detachment Energies from Density Functional Calculations.

Sergei F. Vyboishchikov, Joachim Sauer

Journal:

Year:

2001

File:

PDF, 24 KB

2001

15

Hydrogen Motion in Proton Sponge Cations: A Theoretical Study

Yevhen Horbatenko, Prof. Sergei F. Vyboishchikov

Journal:

Year:

2011

Language:

english

File:

PDF, 645 KB

english, 2011

16

Ab initio energy partitioning at the correlated level

Sergei F. Vyboishchikov, Pedro Salvador

Journal:

Chemical Physics Letters

Year:

2006

Language:

english

File:

PDF, 141 KB

english, 2006

17

Chemical bonding in transition metal carbene complexes

Gernot Frenking, Miquel Solà, Sergei F. Vyboishchikov

Journal:

Journal of Organometallic Chemistry

Year:

2005

Language:

english

File:

PDF, 1006 KB

english, 2005

18

Gas-phase reactions of V2O5+ and V2O6+ ions with CH3CF3 studied by density functional theory

Sergei F. Vyboishchikov

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 360 KB

english, 2005

19

Corrigendum to “Gas-Phase Reactions of and Ions with CH3CF3 Studied by Density Functional Theory” [J. Mol. Struct.: THEOCHEM 723 (2005) 53–61]

Sergei F. Vyboishchikov

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2005

Language:

english

File:

PDF, 37 KB

english, 2005

20

Topological properties of electron density in the H−+ H2CO reaction system

Sergei F. Vyboishchikov, Artem E. Masunov

Journal:

Journal of Molecular Structure

Year:

1994

Language:

english

File:

PDF, 417 KB

english, 1994

21

Partitioning of atomization energy

Sergei F. Vyboishchikov

Journal:

International Journal of Quantum Chemistry

Year:

2008

Language:

english

File:

PDF, 229 KB

english, 2008

22

The Lewis basicity of nitrido complexes. Theoretical investigation of the structure and bonding of Cl2 (PH3)3ReN–X (X = BH3, BCl3, BBr3, AlH3, AlCl3, AlBr3, GaH3, GaCl3, GaBr3, O, S, Se, Te)

Sergei F. Vyboishchikov, Gernot Frenking

Journal:

Theoretical Chemistry Accounts: Theory, Computation, and Modeling (Theoretica Chimica Acta)

Year:

1999

Language:

english

File:

PDF, 278 KB

english, 1999

23

Facile Activation of H–H and Si–H Bonds by Boranes

Nikonov, Georgii I., Vyboishchikov, Sergei F., Shirobokov, Oleg G.

Journal:

Journal of the American Chemical Society

Year:

2012

Language:

english

File:

PDF, 1.64 MB

english, 2012

24

Topological properties of electron density in the H−+H2CO reaction system

Sergei F. Vyboishchikov, Artem E. Masunov

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1994

Language:

english

File:

PDF, 442 KB

english, 1994

25

Dynamic Behavior of Hydrogen in Transition Metal Bis(silyl) Hydride Complexes

Horbatenko, Yevhen, Vyboishchikov, Sergei F.

Journal:

Organometallics

Year:

2013

Language:

english

File:

PDF, 716 KB

english, 2013

26

(V 2 O 5 ) n Gas-Phase Clusters ( n = 1−12) Compared to V 2 O 5 Crystal: DFT Calculations

Vyboishchikov, Sergei F., Sauer, Joachim

Journal:

Journal of Physical Chemistry A

Year:

2001

Language:

english

File:

PDF, 377 KB

english, 2001

27

Structure and Bonding of the Transition-Metal Carbonyl Complexes M(CO) 5 L (M = Cr, Mo, W) and M(CO) 3 L (M = Ni, Pd, Pt; L = CO, SiO, CS, N 2 , NO + , CN - , NC - , HCCH, CCH 2 , CH 2 , CF 2 , H 2 ) 1

Ehlers, Andreas W., Dapprich, Stefan, Vyboishchikov, Sergei F., Frenking, Gernot

Journal:

Organometallics

Year:

1996

Language:

english

File:

PDF, 267 KB

english, 1996

28

Serendipitous Metal-Catalyzed H-H/Si-H Exchange

Nikonov, Georgii I., Vyboishchikov, Sergei F., Shirobokov, Oleg G., Simionescu, Razvan

Journal:

European Journal of Inorganic Chemistry

Year:

2014

Language:

english

File:

PDF, 470 KB

english, 2014

29

Density Functional Study of Ethylene Polymerization Catalyzed by a Zirconium Non-Cyclopentadienyl Complex, L 2 ZrCH 3+ . Effects of Ligands and Bulky Substituents

Vyboishchikov, Sergei F., Musaev, Djamaladdin G., Froese, Robert D. J., Morokuma, Keiji

Journal:

Organometallics

Year:

2001

Language:

english

File:

PDF, 273 KB

english, 2001

30

Dynamics of Si−H−Si Bridges in Agostically Stabilized Silylium Ions

Tussupbayev, Samat, Nikonov, Georgii I., Vyboishchikov, Sergei F.

Journal:

Journal of Physical Chemistry A

Year:

2009

Language:

english

File:

PDF, 1.57 MB

english, 2009

31

Mechanism for Hydride-Assisted Rearrangement from Ethylidene to Ethylene in Iridium Cationic Complexes

Besora, Maria, Vyboishchikov, Sergei F., Lledós, Agustí, Maseras, Feliu, Carmona, Ernesto, Poveda, Manuel L.

Journal:

Organometallics

Year:

2010

Language:

english

File:

PDF, 1.25 MB

english, 2010

32

Versatile and Cooperative Reactivity of a Triruthenium Polyhydride Cluster. A Computational Study

Khoroshun, Dmitry V., Inagaki, Akiko, Suzuki, Hiroharu, Vyboishchikov, Sergei F., Musaev, Djamaladdin G., Morokuma, Keiji

Journal:

Journal of the American Chemical Society

Year:

2003

Language:

english

File:

PDF, 90 KB

english, 2003

33

Cp(Pr i 2 MeP)FeH 2 SiR 3 : Nonclassical Iron Silyl Dihydride

Gutsulyak, Dmitry V., Kuzmina, Lyudmila G., Howard, Judith A. K., Vyboishchikov, Sergei F., Nikonov, Georgii I.

Journal:

Journal of the American Chemical Society

Year:

2008

Language:

english

File:

PDF, 53 KB

english, 2008

34

DFT Study of Hydride Exchange in a Binuclear Ruthenium Complex

Tussupbayev, Samat, Vyboishchikov, Sergei F.

Journal:

Organometallics

Year:

2007

Language:

english

File:

PDF, 878 KB

english, 2007

35

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

Krishtal, Alisa, Vyboishchikov, Sergei F., Van Alsenoy, Christian

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 1.38 MB

english, 2011

36

Cationic Silane σ-Complexes of Ruthenium with Relevance to Catalysis

Gutsulyak, Dmitry V., Vyboishchikov, Sergei F., Nikonov, Georgii I.

Journal:

Journal of the American Chemical Society

Year:

2010

Language:

english

File:

PDF, 141 KB

english, 2010

37

Computational Study of C−C Coupling on Diruthenium Bis(μ-vinyl) Ethylene π-Complex

Tussupbayev, Samat, Vyboishchikov, Sergei F.

Journal:

Organometallics

Year:

2009

Language:

english

File:

PDF, 3.20 MB

english, 2009

38

Gas-Phase Vanadium Oxide Anions: Structure and Detachment Energies from Density Functional Calculations

Vyboishchikov, Sergei F., Sauer, Joachim

Journal:

Journal of Physical Chemistry A

Year:

2000

Language:

english

File:

PDF, 173 KB

english, 2000

39

Rhodium Silyl Hydrides in Oxidation State +5: Classical or Nonclassical? †

Vyboishchikov, Sergei F., Nikonov, Georgii I.

Journal:

Organometallics

Year:

2007

Language:

english

File:

PDF, 420 KB

english, 2007

40

Transition Metal Coordinated Al(X)L 2 and Ga(X)L 2 Fragments †

Fischer, Roland A., Schulte, Markus M., Weiss, Jurij, Zsolnai, Laszlo, Jacobi, Albrecht, Huttner, Gottfried, Frenking, Gernot, Boehme, Christian, Vyboishchikov, Sergei F.

Journal:

Journal of the American Chemical Society

Year:

1998

Language:

english

File:

PDF, 231 KB

english, 1998

41

Computational Study of the C−H Bond Activation in Ethylene on a Binuclear Ruthenium Complex

Tussupbayev, Samat, Vyboishchikov, Sergei F.

Journal:

Organometallics

Year:

2008

Language:

english

File:

PDF, 3.00 MB

english, 2008

42

Cp*(iPr3P)Ru(Cl)(η2-HSiClMe2): the first complex with simultaneous Si–H and RuCl⋯SiCl inter-ligand interactions

Osipov, Alexander L., Vyboishchikov, Sergei F., Dorogov, Konstantin Y., Kuzmina, Lyudmila G., Howard, Judith A. K., Lemenovskii, Dmitrii A., Nikonov, Georgii I.

Journal:

Chemical Communications

Year:

2005

Language:

english

File:

PDF, 335 KB

english, 2005

43

Serendipitous syntheses and structures of [Cp2Nb(H){(SiMe2)2(µ-NR)}]Electronic supplementary information (ESI) available: experimental section. Fig. 1S and Table 1S. See http://www.rsc.org/suppdata/cc/b1/b111636c/ Dedicated to Prof. Dr J. Lorberth on the occasion of his 65th birthday.

Nikonov, Georgii I., Vyboishchikov, Sergei F., Kuzmina, Lyudmila G., Howard, Judith A. K.

Journal:

Chemical Communications

Year:

2002

Language:

english

File:

PDF, 144 KB

english, 2002

44

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

Vyboishchikov, Sergei F., Salvador, Pedro, Duran, Miquel

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 379 KB

english, 2005

45

Si⋅⋅⋅H Interligand Interactions in Cobalt(V) and Iridium(V) Bis(silyl)bis(hydride) Complexes

Horbatenko, Yevhen, Vyboishchikov, Sergei F.

Journal:

Year:

2013

Language:

english

File:

PDF, 861 KB

english, 2013

46

Two complementary molecular energy decomposition schemes: The Mayer and Ziegler–Rauk methods in comparison

Vyboishchikov, Sergei F., Krapp, Andreas, Frenking, Gernot

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 480 KB

english, 2008

47

Modeling exact exchange potential in spherically confined atoms

Vyboishchikov, Sergei F.

Journal:

Journal of Computational Chemistry

Year:

2015

Language:

english

File:

PDF, 464 KB

english, 2015

48

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

Vyboishchikov, Sergei F.

Journal:

Journal of Computational Chemistry

Year:

2016

Language:

english

File:

PDF, 771 KB

english, 2016

49

Unusual Reactions of NacNacAl with Urea and Phosphine Oxides

Chu, Terry, Vyboishchikov, Sergei F., Gabidullin, Bulat M., Nikonov, Georgii I.

Journal:

Inorganic Chemistry

Year:

2017

Language:

english

File:

PDF, 852 KB

english, 2017

50

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

Chu, Terry, Vyboishchikov, Sergei F., Gabidullin, Bulat M., Nikonov, Georgii I.

Journal:

Journal of the American Chemical Society

Year:

2017

Language:

english

File:

PDF, 530 KB

english, 2017