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1

Geometrical properties of nodal surfaces of many-electron wave functions

Nikolai D. Chuvylkin, Evgenii A. Smolenskii, Marina S. Molchanova, Nikolai S. Zefirov

Journal:

International Journal of Quantum Chemistry

Year:

2010

Language:

english

File:

PDF, 278 KB

english, 2010

2

EPR spectra of fluorine-containing phenoxyl radicals

N. M. Bazhin, P. V. Schastnev, N. D. Chuvylkin, V. M. Berdnikov, V. K. Fedorov, A. P. Merkulov, V. D. Shteingarts

Journal:

Journal of Structural Chemistry

Year:

1970

Language:

english

File:

PDF, 296 KB

english, 1970

3

The sulfonation of pyrrole: Choice of relevant computational procedure for quantum chemical analysis of positional orientation

N. D. Chuvylkin, I. D. Nesterov, L. I. Belen’kii

Journal:

Russian Chemical Bulletin

Year:

2007

Language:

english

File:

PDF, 299 KB

english, 2007

4

An insufficient adequacy of node surfaces of multielectron wave functions in the Hartree-Fock approximation

N. D. Chuvylkin, E. A. Smolenskiĭ, N. S. Zefirov

Journal:

Doklady Physics

Year:

2010

Language:

english

File:

PDF, 157 KB

english, 2010

5

Reactivities and structures of compounds of the thiophene and furan series bearing electron-acceptor substituents

Ya. L. Gol'dfarb, G. M. Zhidomirov, N. D. Chuvylkin, L. I. Belen'kii

Journal:

Chemistry of Heterocyclic Compounds

Year:

1972

Language:

english

File:

PDF, 760 KB

english, 1972

6

Quantum chemical studies of sulfonation of pyrrole with pyridine sulfur trioxide

Belen’kii, L. I., Nesterov, I. D., Chuvylkin, N. D.

Journal:

Russian Chemical Bulletin

Year:

2014

File:

PDF, 3.30 MB

2014

7

Quantum-chemical methods for the construction of wave functions of many-electron systems alternative to the Hartree–Fock approximation

N. D. Chuvylkin, E. A. Smolenskii, N. S. Zefirov

Year:

2005

Language:

english

File:

PDF, 415 KB

english, 2005

8

ChemInform Abstract: Principles and Specific Features of Electrophilic Substitution Reactions of Azoles

L. I. BELEN'KII, N. D. CHUVYLKIN

Journal:

Year:

1997

File:

PDF, 25 KB

1997

9

ChemInform Abstract: An Alternative Channel of Reductive Condensation of Trichloromethylarenes with Hydrazines.

L. I. Belen'kii, S. I. Luiksaar, N. D. Chuvylkin, M. M. Krayushkin

Journal:

Year:

2000

File:

PDF, 32 KB

2000

10

On the calculations of the anisotropic hyperfine coupling constants of CH3 and NH2 free radicals

G.M Zhidomirov, N.D Chuvylkin, O.I Brotikovsky

Journal:

Chemical Physics Letters

Year:

1971

Language:

english

File:

PDF, 390 KB

english, 1971

11

On the calculation of the hyperfine coupling constants in free radicals

G.M. Zhidomirov, N.D. Chuvylkin

Journal:

Chemical Physics Letters

Year:

1972

Language:

english

File:

PDF, 422 KB

english, 1972

12

On the ESR parameters of CO+ radicals on A H—Y type zeolite

N.D. Chuvylkin, G.M. Zhidomirov, V.B. Kazansky

Journal:

Chemical Physics Letters

Year:

1974

Language:

english

File:

PDF, 171 KB

english, 1974

13

On the INDO calculations of N32− and N4− free radicals

N.D. Chuvylkin, G.M. Zhidomirov, I.M. Umansky

Journal:

Chemical Physics Letters

Year:

1975

Language:

english

File:

PDF, 314 KB

english, 1975

14

Ethylene reaction with O− radicals adsorbed on Mo/SiO2

V.B. Sapozhnikov, V.A. Shvets, N.D. Chuvylkin, V.B. Kazansky

Journal:

Chemical Physics Letters

Year:

1976

Language:

english

File:

PDF, 235 KB

english, 1976

15

Calculations of the anisotropic hyperfine coupling constants in free radicals

N.D Chuvylkin, G.M Zhidomirov

Journal:

Journal of Magnetic Resonance (1969)

Year:

1969

Language:

english

File:

PDF, 412 KB

english, 1969

16

Calculation of isotropic hyperfine coupling constants in cyclobutyl radical

G.M Zhidomirov, I.A Abronin, I.D Micheikin, N.D Chuvylkin

Journal:

Journal of Magnetic Resonance (1969)

Year:

1969

Language:

english

File:

PDF, 267 KB

english, 1969

17

S3− radicals stabilized on the MgO surface

N.D Chuvylkin, G.M Zhidomirov, V.B Kazansky

Journal:

Journal of Magnetic Resonance (1969)

Year:

1969

Language:

english

File:

PDF, 218 KB

english, 1969

18

Quantum chemical procedure of automatic correction of optimized geometric parameters of free radicals

Nikolai D Chuvylkin, Andrei M Tokmachev

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2002

Language:

english

File:

PDF, 93 KB

english, 2002

19

Quantum chemical analysis of coordination of nitroxide probes to acid sites on the surfaces of oxides

A.M Tokmachev, N.D Chuvylkin, A.V Fionov, E.V Lunina

Journal:

Journal of Molecular Catalysis A: Chemical

Year:

2001

Language:

english

File:

PDF, 134 KB

english, 2001

20

Semiempirical quantum-chemical methods for examining σ-electron systems and calculation of σ-electron radicals

N. D. Chuvylkin, G. M. Zhidomirov

Journal:

Journal of Structural Chemistry

Year:

1971

Language:

english

File:

PDF, 2.51 MB

english, 1971

21

Computation of the hyperfine splitting constants for the HĊO radical

N. D. Chuvylkin, G. M. Zhidomirov, P. V. Schastnev

Journal:

Journal of Structural Chemistry

Year:

1972

Language:

english

File:

PDF, 302 KB

english, 1972

22

Spin polarization of π electron systems in σ electron radicals I. Modification of McLachlan's method

G. M. Zhidomirov, D. V. Schastnev, N. D. Chuvylkin

Journal:

Journal of Structural Chemistry

Year:

1969

Language:

english

File:

PDF, 290 KB

english, 1969

23

Structure of the paramagnetic center in nitric oxide free radicals

I. A. Abronin, N. A. Sysoeva, G. M. Zhidomirov, A. L. Buchachenko, N. D. Chuvylkin

Journal:

Journal of Structural Chemistry

Year:

1971

Language:

english

File:

PDF, 345 KB

english, 1971

24

Selection of geometrical parameters for free radicals in semiempirical calculations of hyperfine in teraction constants

N. D. Chuvylkin, G. M. Zhidomirov

Journal:

Journal of Structural Chemistry

Year:

1972

Language:

english

File:

PDF, 386 KB

english, 1972

25

Distribution of spin density in complexes of Ni(II) with ethylenediamine and 1,3-diaminopropane

Yu. N. Molin, P. V. Schastnev, N. D. Chuvylkin

Journal:

Journal of Structural Chemistry

Year:

1971

Language:

english

File:

PDF, 338 KB

english, 1971

26

Spin polarization of π-system electrons in σ-electron radicals

G. M. Zhidomirov, P. V. Schastnev, N. D. Chuvylkin

Journal:

Journal of Structural Chemistry

Year:

1970

Language:

english

File:

PDF, 445 KB

english, 1970

27

Isotropic hyperfine interaction with the fluorine nuclei in fluorinated aromatic radicals

P. V. Schastnev, G. M. Zhidomirov, N. D. Chuvylkin

Journal:

Journal of Structural Chemistry

Year:

1969

Language:

english

File:

PDF, 423 KB

english, 1969

28

Parameters of the ESR spectra and structure of O3−radicals

I. D. Mikheikin, G. M. Zhidomirov, N. D. Chuvylkin, V. B. Kazanskii

Journal:

Journal of Structural Chemistry

Year:

1974

Language:

english

File:

PDF, 326 KB

english, 1974

29

Calculation of the spin-spin interactions in molecules by the RHF/SP method

N. D. Chuvylkin, G. M. Zhidomirov

Journal:

Journal of Structural Chemistry

Year:

1973

Language:

english

File:

PDF, 423 KB

english, 1973

30

Calculation of the isotropic hyperfine-interaction constants in the cyclopentyl radical

G. M. Zhidomirov, I. A. Abronin, I. D. Mikheikin, N. D. Chuvylkin

Journal:

Journal of Structural Chemistry

Year:

1975

Language:

english

File:

PDF, 238 KB

english, 1975

31

Calculations of π-electron radicals, based on the CNDO/SP method

G. M. Zhidomirov, I. A. Abronin, N. D. Chuvylkin

Journal:

Journal of Structural Chemistry

Year:

1975

Language:

english

File:

PDF, 188 KB

english, 1975

32

Quantum chemical investigation of the mechanism of the reaction of pyridines with trichloromethylarenes

L. I. Belen'kii, N. D. Chuvylkin

Journal:

Chemistry of Heterocyclic Compounds

Year:

1995

Language:

english

File:

PDF, 599 KB

english, 1995

33

Relationships and features of electrophilic substitution reactions in the azole series

L. I. Belen'kii, N. D. Chuvylkin

Journal:

Chemistry of Heterocyclic Compounds

Year:

1996

Language:

english

File:

PDF, 2.08 MB

english, 1996

34

Calculations of the isotropic hyperfine coupling constants in free radicals

G. M. Zhidomirov, N. D. Chuvylkin

Journal:

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

Year:

1973

Language:

english

File:

PDF, 365 KB

english, 1973

35

On quantum-chemical estimates of constants of isotropic hyperfine coupling with protons in free radicals

N. D. Chuvylkin, A. M. Tokmachev

Journal:

Russian Chemical Bulletin

Year:

1999

Language:

english

File:

PDF, 414 KB

english, 1999

36

An alternative channel of reductive condensation of trichloromethylarenes with hydrazines

L. I. Belen'kii, S. I. Luiksaar, N. D. Chuvylkin, M. M. Krayushkin

Journal:

Russian Chemical Bulletin

Year:

2000

Language:

english

File:

PDF, 686 KB

english, 2000

37

Coordination of nitroxyl radical probes to the Lewis acid sites on the surface of gallium oxide: A quantum-chemical analysis

A. M. Tokmachev, Yu. N. Pushkar, A. V. Fionov, E. V. Lunina, N. D. Chuvylkin

Journal:

Russian Chemical Bulletin

Year:

2000

Language:

english

File:

PDF, 591 KB

english, 2000

38

Cluster models in the quantum-chemical analysis of coordination of nitroxide probes to Lewis acid sites on the surface of Al2O3

N. D. Chuvylkin, A. M. Tokmachev, A. V. Fionov, E. V. Lunina

Journal:

Russian Chemical Bulletin

Year:

1997

Language:

english

File:

PDF, 1.27 MB

english, 1997

39

Evaluation of MNDO approximation in quantum-chemical calculations ofg-tensors of free radicals

N. D. Chuvylkin, A. M. Tokmachev

Journal:

Russian Chemical Bulletin

Year:

2000

Language:

english

File:

PDF, 317 KB

english, 2000

40

A comparative quantum-chemical analysis of electronic structures and spectroscopic parameters of cycloalkanes and cyclopolysilanes

N. D. Chuvylkin, V. M. Promyslov

Journal:

Russian Chemical Bulletin

Year:

1997

Language:

english

File:

PDF, 283 KB

english, 1997

41

Evaluation of a new procedure for quantum-chemical estimates of constants of isotropic hyperfine coupling with protons in free radicals

N. D. Chuvylkin, A. M. Tokmachev

Journal:

Russian Chemical Bulletin

Year:

1999

Language:

english

File:

PDF, 662 KB

english, 1999

42

Evaluation of MNDO approximation in quantum-chemical calculations of anisotropic hyperfine coupling tensors in free radicals

N. D. Chuvylkin, A. M. Tokmachev

Journal:

Russian Chemical Bulletin

Year:

1999

Language:

english

File:

PDF, 467 KB

english, 1999

43

Correlations between magnetic resonance parameters of ESR and NMR spectra

N. D. Chuvylkin, A. M. Tokmachev

Journal:

Russian Chemical Bulletin

Year:

1997

Language:

english

File:

PDF, 796 KB

english, 1997

44

Quantum-chemical analysis of the cluster models of coordination of imidazoline nitroxides on the silica surface

N. D. Chuvylkin, A. M. Tokmachev, A. V. Fionov, E. V. Lunina

Journal:

Russian Chemical Bulletin

Year:

1998

Language:

english

File:

PDF, 561 KB

english, 1998

45

Reactivity of molecules with nitrogen-containing functional groups toward H+and SiMe3+ions

V. I. Kadentsev, N. D. Chuvylkin, A. A. Stomakhin, N. G. Kolotyrkina, O. S. Chizhov

Journal:

Russian Chemical Bulletin

Year:

1998

Language:

english

File:

PDF, 158 KB

english, 1998

46

Quantum-chemical study of the electronic structure and reactivity of 2-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid methyl ester

V. N. Yarovenko, S. L. Semenov, I. V. Zavarzin, N. D. Chuvylkin, M. M. Krayushkin

Journal:

Chemistry of Heterocyclic Compounds

Year:

2006

Language:

english

File:

PDF, 223 KB

english, 2006

47

Quantum-chemical investigation of the mechanism of the sulfonation of pyrrole

L. I. Belen’kii, I. D. Nesterov, N. D. Chuvylkin

Journal:

Chemistry of Heterocyclic Compounds

Year:

2006

Language:

english

File:

PDF, 244 KB

english, 2006

48

Quantum-chemical investigation of the effect of solvent polarity on the direction of sulfonation of pyrrole

L. I. Belen’kii, I. D. Nesterov, N. D. Chuvylkin

Journal:

Chemistry of Heterocyclic Compounds

Year:

2007

Language:

english

File:

PDF, 231 KB

english, 2007

49

Quantum-chemical investigation of the electrophile affinity of molecules of five-membered heterocycles with one hetero-atom and some model systems

L. I. Belen’kii, I. D. Nesterov, N. D. Chuvylkin

Journal:

Chemistry of Heterocyclic Compounds

Year:

2008

Language:

english

File:

PDF, 421 KB

english, 2008

50

Comparison of the capacity of nitrogen, oxygen, sulfur, and selenium atoms to exist in onium states. quantum-chemical investigation of isomeric model systems with two heteroatoms

L. I. Belen’kii, I. D. Nesterov, N. D. Chuvylkin

Journal:

Chemistry of Heterocyclic Compounds

Year:

2008

Language:

english

File:

PDF, 338 KB

english, 2008

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