O.E. Grikina : rechercher sur Z-Library

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1

Nitroxoline Molecule: Planar or Not? A Story of Battle between π–π Conjugation and Interatomic Repulsion

Tikhonov, Denis S, Sharapa, Dmitry I., Otlyotov, Arseniy A., Solyankin, Petr M., Rykov, Anatolii N., Shkurinov, Alexander P., Grikina, Olga E., Khaikin, Leonid S.

Journal:

Journal of Physical Chemistry A

Année:

2018

Langue:

english

Fichier:

PDF, 4.80 MB

english, 2018

2

The conformational analysis of 2,3,4,5-tetrachloro-trans-hexa-1,3,5-triene

O.E. Grikina, Yu.N. Panchenko, N.F. Stepanov, G.S. Koptev

Journal:

Journal of Molecular Structure

Année:

1975

Langue:

english

Fichier:

PDF, 429 KB

english, 1975

3

Molecular structure of acetyldimethylphosphine, MeC(O)PMe2: I. Gas phase electron diffraction study

L.S. Khaikin, L.G. Andrutskaya, O.E. Grikina, L.V. Vilkov, Yu.I. El'natanov, R.G. Kostyanovski

Journal:

Journal of Molecular Structure

Année:

1977

Langue:

english

Fichier:

PDF, 1.05 MB

english, 1977

4

Molecular structure of acetyldeyiethylphosphine, MeC(O)PMe2: II. CNDO/2 calculations

O.E. Grikina, N.F. Stepanov, L.S. Khaikin, E.A. Bovina, L.V. Vilkov

Journal:

Journal of Molecular Structure

Année:

1977

Langue:

english

Fichier:

PDF, 599 KB

english, 1977

5

Gas phase electron diffraction study of 1-chloro-2,4-dimethyl-1,2-dihydro-1,5,2,3-phosphaoxadiazole,

L.S. Khaikin, O.E. Grikina, L.V. Vilkov

Journal:

Journal of Molecular Structure

Année:

1982

Langue:

english

Fichier:

PDF, 1.23 MB

english, 1982

6

The structure of nitrobenzene and the interpretation of the vibrational frequencies of the CNO2 moiety on the basis of ab initio calculations

Vladimir A. Shlyapochnikov, Leonid S. Khaikin, Olga E. Grikina, Charles W. Bock, Lev V. Vilkov

Journal:

Journal of Molecular Structure

Année:

1994

Langue:

english

Fichier:

PDF, 1.40 MB

english, 1994

7

CNDO/2 calculations of intermolecular interactions in chlorine-ethylene and bromine-ethylene systems

N.F. Stepanov, O.E. Grikina, G.B. Sergeev, V.V. Smirnov

Journal:

Advances in Molecular Relaxation and Interaction Processes

Année:

1978

Langue:

english

Fichier:

PDF, 351 KB

english, 1978

8

Structure, spectra, and intramolecular motions of 1,4-bis(trimethylsilyl)-1,3-butadiyne: an electron diffraction study using the results of spectral analysis based on scaled quantum-chemical force field for calculating vibrational effects

M. Traetteberg, L.S. Khaikin, O.E. Grikina, J.F. Liebman, M. Hulce

Journal:

Journal of Molecular Structure

Année:

2001

Langue:

english

Fichier:

PDF, 354 KB

english, 2001

9

The structure and spectra of 1-silylpropyne: scaled quantum-chemical force fields and vibrational effects

L.S. Khaikin, O.E. Grikina, V.A. Sipachev, M. Traetteberg

Journal:

Journal of Molecular Structure

Année:

2001

Langue:

english

Fichier:

PDF, 205 KB

english, 2001

10

The structure and spectra of 1,1-bis(trimethylsilylethynyl)-cyclopropane: a priori calculated force field and vibrational effects

M Trætteberg, L.S Khaikin, O.E Grikina, S.I Kozhushkov, A de Meijere

Journal:

Journal of Molecular Structure

Année:

2002

Langue:

english

Fichier:

PDF, 272 KB

english, 2002

11

Gas-phase electron diffraction study of cyclic dimer of dimethylphosphinic acid (Me2P(O)OH)2 using quantum chemical data and a priori force field

L.S. Khaikin, O.E. Grikina, L.V. Vilkov, A.V. Golubinskii, E.G. Atavin, R.E. Asfin, G.S. Denisov

Journal:

Journal of Molecular Structure

Année:

2003

Langue:

english

Fichier:

PDF, 245 KB

english, 2003

12

An analysis of electron diffraction data on bis(trimethylsilyl)acetylene taking into account nonlinear relations between Cartesian and internal vibrational coordinates

L.S. Khaikin, O.E. Grikina, V.A. Sipachev, A.V. Belyakov, E.T. Bogoradovskii, M. Kolonits

Journal:

Journal of Molecular Structure

Année:

2000

Langue:

english

Fichier:

PDF, 422 KB

english, 2000

13

Structure, spectra and internal rotation of bis(trimethylsilyl) acetylene: spectral analysis by scaling quantum-chemical force fields and two methods for calculating vibrational effects

V.A. Sipachev, L.S. Khaikin, O.E. Grikina, V.S. Nikitin, M. Trætteberg

Journal:

Journal of Molecular Structure

Année:

2000

Langue:

english

Fichier:

PDF, 430 KB

english, 2000

14

Nonempirical quantum chemical calculation for nitramide, its chloro- and methyl-substituted derivatives. II. Structures and energies of transition states for internal rotation and inversion of the amino group

L. S. Khaikin, O. E. Grikina, L. V. Vilkov, J. E. Boggs

Journal:

Journal of Structural Chemistry

Année:

1993

Langue:

english

Fichier:

PDF, 483 KB

english, 1993

15

Nonempirical quantum chemical calculation for nitramide, its chloro- and methyl-substituted derivatives. I. Structure of equilibrium forms

L. S. Khaikin, O. E. Grikina, L. V. Vilkov, M. Alcolea Palafox, J. E. Boggs

Journal:

Journal of Structural Chemistry

Année:

1993

Langue:

english

Fichier:

PDF, 449 KB

english, 1993

16

Structure of 1,2,3-diazaphosphole and several of its derivatives. Use of the results of nonempirical quantum chemical calculations in the electron diffraction investigation of 2-acetyl-5-methyl-and 5-methyl-2-phenyl-1,2,3-diazaphospholes

L. S. Khaikin, O. E. Grikina, L. V. Vilkov, J. E. Boggs

Journal:

Journal of Structural Chemistry

Année:

1987

Langue:

english

Fichier:

PDF, 406 KB

english, 1987

17

Far IR and Raman vibrational spectra of nitramines

V. A. Shlyapochnikov, L. S. Khaikin, O. E. Grikina, N. O. Cherskaya, L. E. Maksimova, N. F. Pyatakov

Journal:

Russian Chemical Bulletin

Année:

1998

Langue:

english

Fichier:

PDF, 255 KB

english, 1998

18

Molecular structures of acetylene derivatives of tin

L. S. Khaikin, O. E. Grikina, V. A. Sipachev, A. A. Granovsky, V. S. Nikitin

Journal:

Russian Chemical Bulletin

Année:

2000

Langue:

english

Fichier:

PDF, 863 KB

english, 2000

19

Molecular structures of acetylene derivatives of tin

L. S. Khaikin, O. E. Grikina, V. A. Sipachev, A. V. Belyakov, E. T. Bogoradovskii

Journal:

Russian Chemical Bulletin

Année:

2000

Langue:

english

Fichier:

PDF, 968 KB

english, 2000

20

Efficiency of post-Hartree-Fock force field for the interpretation of vibrational spectra ofN,N-dimethylnitramine

L. S. Khaikin, O. E. Grikina, V. I. Perevozchikov, S. S. Kramarenko, V. A. Shlyapochnikov, J. E. Boggs

Journal:

Russian Chemical Bulletin

Année:

1998

Langue:

english

Fichier:

PDF, 913 KB

english, 1998

21

Ab initiostudy of molecular structure and internal rotation in methyldicyanophosphine and methyldiisocyanophosphine. The Raman spectrum of methyldicyanophosphine and its interpretation with the use of scaling ofab initioforce fields

L. S. Khaikin, O. E. Grikina, B. I. Zhilinskii, E. A. Zhilinskaya, E. G. Baskir, R. V. Nepomnyashchii, O. A. Fomicheva, M. V. Proskurnina

Journal:

Russian Chemical Bulletin

Année:

1998

Langue:

english

Fichier:

PDF, 942 KB

english, 1998

22

Structural relaxations and energy effects of intramolecular motions inN,N-dimethylnitramine: A theoretical study

L. S. Khaikin, O. E. Grikina, V. I. Perevozchikov, A. V. Abramenkov, V. A. Shlyapochnikov, F. R. Cordell, J. E. Boggs

Journal:

Russian Chemical Bulletin

Année:

1998

Langue:

english

Fichier:

PDF, 1.07 MB

english, 1998

23

Vibrational spectra of 1,1,3,3-tetramethyl-2-nitroguanidine and their interpretation with the use of scaling of quantum-chemical force field

L. S. Khaikin, O. E. Grikina, B. V. Lokshin, K. P. Dyugaev, A. M. Astakhov

Journal:

Russian Chemical Bulletin

Année:

2008

Langue:

english

Fichier:

PDF, 233 KB

english, 2008

24

Tautomeric and conformational stabilities of methylphosphonic dicyanide, methoxydicyanophosphine, and their isocyano analogs: an ab initio calculation

L.S Khaikin, E.A Zhilinskaya, O.E Grikina, M.V Proskurnina, L.V Vilkov

Journal:

Journal of Molecular Structure

Année:

1995

Langue:

english

Fichier:

PDF, 498 KB

english, 1995

25

A quantum-chemical study of nitroguanidine and tetramethyl nitroguanidine: Stable structures, force fields, and the interpretation of the vibrational spectrum

L. S. Khaikin, O. E. Grikina, Yu. V. Vishnevskii

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Année:

2007

Langue:

english

Fichier:

PDF, 130 KB

english, 2007

26

A quantum-chemical and gas phase electron diffraction study of the structure of formylphosphine and acetyldimethylphosphine

L. S. Khaikin, O. E. Grikina, N. F. Stepanov

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 207 KB

english, 2010

27

The geometry of the nitroguanyl fragment in the simplest nitroguanidine derivatives in the absence of intermolecular interactions: The gas electron diffraction data on 1,1,3,3-tetramethyl-2-nitroguanidine

L. S. Khaikin, O. E. Grikina, G. V. Girichev, A. Kovacs, K. P. Dyugaev, A. M. Astachov

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 304 KB

english, 2011

28

Structure and spectra of 1,3,2-dioxaphospholenes. 1. Microwave spectra of 2-chloro-4,5-dimethyl-1,3,2-dioxaphospholene and its isotopomers in the ground and excited vibrational states

R. V. Galeev, L. N. Gunderova, A. H. Mamleev, A. A. Shapkin, N. M. Pozdeev, O. E. Grikina, M. V. Proskurnina, L. S. Khaikin

Journal:

Russian Chemical Bulletin

Année:

2001

Langue:

english

Fichier:

PDF, 301 KB

english, 2001

29

Equilibrium conformation of dimethylaminodichlorophosphine molecule: the use of the results of quantum-chemical calculations and spectroscopic measurements in the analysis of gas-phase electron diffraction data

L. S. Khaikin, O. E. Grikina, S. S. Kramarenko, E. A. Zhilinskaya, B. I. Zhilinskii

Journal:

Russian Chemical Bulletin

Année:

2001

Langue:

english

Fichier:

PDF, 380 KB

english, 2001

30

The Mills—Nixon and anomeric effects in 2,3-dihydro-1H-1,3,2-benzodiazaphospholes: a gas-phase electron diffraction study of C6H4(NMe)2PCl using quantum-chemical data and “a priori” force field

L. S. Khaikin, O. E. Grikina, E. A. Zhilinskaya, B. I. Zhilinskii, L. V. Vilkov

Journal:

Russian Chemical Bulletin

Année:

2002

Langue:

english

Fichier:

PDF, 410 KB

english, 2002

31

Molecular Structures of Acetylene Derivatives of Tin. VIII Trimethylstannylacetylene: Use of Results of Quantum-Chemical Calculations and Spectroscopic Measurements in Analysis of Gas-Phase Electron Diffraction Data

L. S. Khaikin, O. E. Grikina, A. A. Granovsky, V. S. Nikitin, L. V. Vilkov

Journal:

Structural Chemistry

Année:

2004

Langue:

english

Fichier:

PDF, 144 KB

english, 2004

32

CNDO/2 calculation of intermolecular interactions in the chlorine — ethylene and bromine-ethylene systems

N. F. Stepanov, O. E. Grikina, G. B. Sergeev, V. V. Smirnov

Journal:

Theoretical and Experimental Chemistry

Année:

1978

Langue:

english

Fichier:

PDF, 443 KB

english, 1978

33

Ab initiocalculations of the structure and harmonic force fields for the amine forms of dinitramine and methyldinitramine. Vibrational spectra and their interpretation using a scaling procedure

L. S. Khaikin, O. E. Grikina, V. A. Shlyapochnikov, L. V. Vilkov, C. W. Bock

Journal:

Russian Chemical Bulletin

Année:

1995

Langue:

english

Fichier:

PDF, 1.13 MB

english, 1995

34

Interpretation of the vibrational spectra of nitramines on the basis ofab initiocalculations

L. S. Khaikin, O. E. Grikina, V. A. Shlyapochnikov, J. E. Boggs

Journal:

Russian Chemical Bulletin

Année:

1994

Langue:

english

Fichier:

PDF, 1.10 MB

english, 1994

35

Ab initioinvestigation of tautomeric stability, molecular structure, and internal rotation of methylphosphonic dicyanide, methoxydicyanophosphine, and their isocyano analogs

L. S. Khaikin, E. A. Zhilinskaya, O. E. Grikina, L. V. Vilkov

Journal:

Russian Chemical Bulletin

Année:

1996

Langue:

english

Fichier:

PDF, 1.30 MB

english, 1996

36

Ab initio calculations of the structure and inversion barriers of chloramide, H2NCl, and N-chloro-N-methylmethanamine, (CH3)2NCl

L.S. Khaikin, O.E. Grikina, M.Alcolea Palafox, L.V. Vilkov

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1997

Langue:

english

Fichier:

PDF, 506 KB

english, 1997

37

Interpretation of the vibrational spectra of chloramide, H2NCl, on the basis of post-Hartree-Fock force field

Leonid S. Khaikin, Olga E. Grikina, Mauricio Alcolea Palafox

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

1997

Langue:

english

Fichier:

PDF, 522 KB

english, 1997

38

Calculation of the enthalpy and entropy of polymerization and copolymerization constants by the structural-element contribution method

O.Ye. Grikina, N.F. Stepanov, V.M. Tatevskii, S.S. Yarovoi

Journal:

Polymer Science U.S.S.R.

Année:

1971

Langue:

english

Fichier:

PDF, 1.16 MB

english, 1971

39

Interpreting the vibrational spectra of uracil molecules and their deuterated isotopomers using a scaled quantum-chemical quadratic force field

L. S. Khaikin, O. E. Grikina, N. Vogt…

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Année:

2012

Langue:

english

Fichier:

PDF, 185 KB

english, 2012

40

A benchmark study of molecular structure by experimental and theoretical methods: Equilibrium structure of uracil from gas-phase electron diffraction data and coupled-cluster calculations

Vogt, Natalja, Khaikin, Leonid S., Grikina, Olga E., Rykov, Anatolii N.

Journal:

Journal of Molecular Structure

Année:

2013

Langue:

english

Fichier:

PDF, 693 KB

english, 2013

41

Electron diffraction study of the equilibrium structure of hexamethylenetetramine involving data from quantum chemistry and vibrational spectroscopy

Khaikin, L. S., Grikina, O. E., Karasev, N. M., Kovtun, D. M., Kochikov, I. V.

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Année:

2014

Langue:

english

Fichier:

PDF, 312 KB

english, 2014

42

Quantum-chemical calculations for silyl- and alkyl-pseudohalides X3YNCZ (X = H or CH3; Y = C or Si; Z = O, S, or Se) and electron diffraction study of the equilibrium molecular structure of (CH3)3SiNCSe

Khaikin, L. S., Grikina, O. E., Kochikov, I. V., Stepanov, N. F.

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Année:

2014

Langue:

english

Fichier:

PDF, 317 KB

english, 2014

43

Quantum-chemical calculations and electron diffraction study of the equilibrium molecular structure of vitamin K3

Khaikin, L. S., Tikhonov, D. S., Grikina, O. E., Rykov, A. N., Stepanov, N. F.

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Année:

2014

Langue:

english

Fichier:

PDF, 282 KB

english, 2014

44

Hexamethylenetetramine (urotropine) C6H12N2: Interpreting the vibrational spectra of -d0and -d12isotopomers by scaling the quantum-chemical force field

Khaikin, L. S., Grikina, O. E., Kochikov, I. V., Stepanov, N. F.

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Année:

2014

Langue:

english

Fichier:

PDF, 228 KB

english, 2014

45

Study of the Thymine Molecule: Equilibrium Structure from Joint Analysis of Gas-Phase Electron Diffraction and Microwave Data and Assignment of Vibrational Spectra Using Results of Ab initio Calculations

Vogt, Natalja, Khaikin, Leonid S., Grikina, Olga E., Rykov, Anatolii N., Vogt, Jürgen

Journal:

Journal of Physical Chemistry A

Année:

2008

Langue:

english

Fichier:

PDF, 215 KB

english, 2008

46

Flexibility of the Saturated Five-Membered Ring in 2,5-Pyrrolidinedione (Succinimide): Electron Diffraction and Quantum-Chemical Studies with Use of Vibrational Spectroscopy Data

Vogt, Natalja, Khaikin, Leonid S., Grikina, Olga E., Karasev, Nikolai M., Vogt, Jürgen, Vilkov, Lev V.

Journal:

Journal of Physical Chemistry A

Année:

2009

Langue:

english

Fichier:

PDF, 177 KB

english, 2009

47

Analysis of electron diffraction data for several symmetric coordinates of large-amplitude motions in the case of the 1,3,5-trinitrobenzene molecule

Khaikin, L. S., Kochikov, I. V., Tikhonov, D. S., Grikina, O. E.

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Année:

2015

Langue:

english

Fichier:

PDF, 384 KB

english, 2015

48

IR spectra of nitrobenzene and nitrobenzene-15N in the gas phase, ab initio analysis of vibrational spectra and reliable force fields of nitrobenzene and 1,3,5-trinitrobenzene. Investigation of equilibrium geometry and internal rotation in these simplest aromatic nitro compounds with one and three rotors by means of electron diffraction, spectroscopic, and quantum chemistry data

L. S. Khaikin, I. V. Kochikov, O. E. Grikina, D. S. Tikhonov, E. G. Baskir

Journal:

Structural Chemistry

Année:

2015

Langue:

english

Fichier:

PDF, 1.49 MB

english, 2015

49

Gas phase equilibrium structure of histamine

Tikhonov, Denis Sergeyevich, Rykov, Anatolii N., Grikina, Olga Efimovna, Khaikin, Leonid Solomonovich

Journal:

Physical Chemistry Chemical Physics

Année:

2016

Langue:

english

Fichier:

PDF, 6.53 MB

english, 2016

50

Semi-experimental equilibrium structure of pyrazinamide from gas-phase electron diffraction. How much experimental is it?

Tikhonov, Denis S., Vishnevskiy, Yury V., Rykov, Anatolii N., Grikina, Olga E., Khaikin, Leonid S.

Journal:

Journal of Molecular Structure

Année:

2016

Langue:

english

Fichier:

PDF, 3.62 MB

english, 2016