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1

DENSITY FUNCTIONAL THEORY: ESTIMATION OF NUCLEAR QUADRUPOLE MOMENTS OF SOME NUCLEI

RITTER R.A.,FATEEV A.V.,POLESHCHUK O.KH.

Journal:

Вестник Томского государственного педагогического университета

Année:

2003

Fichier:

PDF, 565 KB

2003

2

Calculation of the119Sn isomer shifts in complexes of tin tetrachloride with organic ligands

V. A. Varnek, O. Kh. Poleshchuk, L. N. Mazalov, D. M. Kizhner

Journal:

Journal of Structural Chemistry

Année:

1982

Langue:

english

Fichier:

PDF, 326 KB

english, 1982

3

Encyclopedia of Spectroscopy and Spectrometry || Nuclear Quadrupole Resonance, Applications

Poleshchuk, Oleg Kh.

Année:

1999

Langue:

english

Fichier:

PDF, 156 KB

english, 1999

4

Ligand effect on chlorine electron density distribution in titanium tetrachloride complexes

G. N. Dolenko, B. A. Gostevskii, O. Kh. Poleshchuk, J. Latosinska, M. Ostafin, M. A. Belogolov, M. V. Grechneva

Journal:

Heteroatom Chemistry

Année:

2000

Langue:

english

Fichier:

PDF, 160 KB

english, 2000

5

N2CuF: A Complex of Dinitrogen and Cuprous Fluoride Characterized by Rotational Spectroscopy

Simon G. Francis, Steven L. Matthews, Oleg Kh. Poleshchuk, Nicholas R. Walker, Anthony C. Legon

Journal:

Angewandte Chemie

Année:

2006

Langue:

english

Fichier:

PDF, 90 KB

english, 2006

6

N2CuF: A Complex of Dinitrogen and Cuprous Fluoride Characterized by Rotational Spectroscopy

Simon G. Francis, Steven L. Matthews, Oleg Kh. Poleshchuk, Nicholas R. Walker, Anthony C. Legon

Journal:

Angewandte Chemie International Edition

Année:

2006

Langue:

english

Fichier:

PDF, 90 KB

english, 2006

7

The First Azaindatrane and Unprecedented Structural Features

Pavel L. Shutov, Sergey S. Karlov, Klaus Harms, Oleg Kh. Poleshchuk, Jörg Lorberth, Galina S. Zaitseva

Journal:

European Journal of Inorganic Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 97 KB

english, 2003

8

Investigation of the electronic structure of 4-chlorophenylisoxazole and 4-chloroisoxazoline by NQR spectroscopy and quantum-chemical calculations

O. Kh. Poleshchuk, B. Nogaj, J. N. Latosińska, J. Koput, T. A. Babushkina, S. D. Sokolov

Journal:

Magnetic Resonance in Chemistry

Année:

1994

Langue:

english

Fichier:

PDF, 442 KB

english, 1994

9

Electronic structure of nitrogen–chlorine bonds in some compounds studied by NQR spectroscopy and DFT calculations

O. Kh. Poleshchuk, K. Makiej, M. Ostafin, B. Nogaj

Journal:

Magnetic Resonance in Chemistry

Année:

2001

Langue:

english

Fichier:

PDF, 99 KB

english, 2001

10

Electron density redistribution on complexation in non-transition element complexes

O.Kh. Poleshchuk, B. Nogaj, G.N. Dolenko, V.P. Elin

Journal:

Journal of Molecular Structure

Année:

1993

Langue:

english

Fichier:

PDF, 1.18 MB

english, 1993

11

Investigation of chlorine valence electron density in SnCl4L2, SbCl5L and TiCl4L2 complexes

O.Kh. Poleshchuk, V.P. Elin, J. Koput, B. Nogaj, G.N. Dolenko

Journal:

Journal of Molecular Structure

Année:

1995

Langue:

english

Fichier:

PDF, 232 KB

english, 1995

12

Analysis of the effect of the electronic structure of the Cl atom in complexes of chlorides of group IV elements on 35Cl NQR frequency and asymmetry parameter

O.Kh. Poleshchuk, J.N. Latosińska, B. Nogaj

Journal:

Journal of Molecular Structure

Année:

1996

Langue:

english

Fichier:

PDF, 377 KB

english, 1996

13

A study of electronic structure of SbCl5.L and SnCl4.L2 complexes by the PM3 method

O.Kh. Poleshchuk, J. Koput, J.N. Latosińska, B. Nogaj

Journal:

Journal of Molecular Structure

Année:

1996

Langue:

english

Fichier:

PDF, 493 KB

english, 1996

14

Electronic structure of bridging halogen atoms in metal halide dimers studied by the AM1 method and NQR spectroscopy

O.Kh. Poleshchuk, B. Nogaj, J.N. Latosińska, J. Koput

Journal:

Solid State Nuclear Magnetic Resonance

Année:

1996

Langue:

english

Fichier:

PDF, 635 KB

english, 1996

15

Sodium and potassium salts of dichloroisocyanuric acid and their hydrates as antimicrobials agents studied by 35Cl-NQR spectroscopy and DFT calculations

A. Walczak, B. Brycki, M. Kaczmarek, O.Kh. Poleshchuk, M. Ostafin, B. Nogaj

Journal:

Chemical Physics

Année:

2006

Langue:

english

Fichier:

PDF, 170 KB

english, 2006

16

Studies of the electronic structure and biological activity of chosen 1,4-benzodiazepines by 35Cl NQR spectroscopy and DFT calculations

K. Bronisz, M. Ostafin, O. Kh. Poleshchuk, J. Mielcarek, B. Nogaj

Journal:

Chemical Physics

Année:

2006

Langue:

english

Fichier:

PDF, 429 KB

english, 2006

17

HFI and DFT study of the bonding in complexes of halogen and interhalogen diatomics with Lewis base

O. Kh. Poleshchuk, V. Branchadell, B. Brycki, A.V. Fateev, A.C. Legon

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2006

Langue:

english

Fichier:

PDF, 148 KB

english, 2006

18

SO3 complexes with nitrogen containing ligands as the object of nuclear quadrupole interactions and density functional theory calculations

O.Kh. Poleshchuk, V. Branchadell, A.V. Fateev, A.C. Legon

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2006

Langue:

english

Fichier:

PDF, 261 KB

english, 2006

19

Changes in electron density distribution resulting from formation of antimony pentachloride complexes studied by X-ray fluorescence spectroscopy

B Nogaj, O.Kh Poleshchuk, J Kasprzak, J Koput, V.P Elin, G.N Dolenko

Journal:

Journal of Molecular Structure

Année:

1997

Langue:

english

Fichier:

PDF, 199 KB

english, 1997

20

The asymmetry parameter of the electric field gradient tensor of TiCl4 and its complexes studied by NQR nutation spectroscopy

O.Kh Poleshchuk, B Nogaj, J.N Latosińska, A Glaser, M Ostafin

Journal:

Journal of Molecular Structure

Année:

1997

Langue:

english

Fichier:

PDF, 102 KB

english, 1997

21

Studies of the electronic structure of tin and antimony organic compounds by NQR, X-ray electron and fluorescence spectroscopies and quantum-chemical calculations

O.Kh. Poleshchuk, J.N. Latosińska, J. Koput

Journal:

Journal of Molecular Structure

Année:

2000

Langue:

english

Fichier:

PDF, 200 KB

english, 2000

22

Distinctive features of the electronic structure of tetrachloride titanium complexes

G.N Dolenko, O.Kh Poleshchuk, B.A Gostewskii, J.N Latosinska, M Ostafin

Journal:

Journal of Molecular Structure

Année:

2000

Langue:

english

Fichier:

PDF, 599 KB

english, 2000

23

Energy analysis of the chemical bond in group IV and V complexes: A density functional theory study

O. Kh. Poleshchuk, E. L. Shevchenko, V. Branchadell, M. Lein, G. Frenking

Journal:

International Journal of Quantum Chemistry

Année:

2005

Langue:

english

Fichier:

PDF, 110 KB

english, 2005

24

Temperature dependence of the resonance absorption ofγquanta in complexes of tin(IV) chloride with organic ligands

V. A. Varnek, E. N. Yurchenko, V. A. Kogan, L. N. Mazalov, Yu. K. Maksyutin, O. Kh. Poleshchuk, A. S. Egorov, O. A. Osipov

Journal:

Journal of Structural Chemistry

Année:

1975

Langue:

english

Fichier:

PDF, 530 KB

english, 1975

25

A comparative study of organic and nucleotide derivatives of phosphoric acid from the31P NMR spectra

A. V. Lebedev, A. I. Rezvukhin, G. G. Furin, O. Kh. Poleshchuk

Journal:

Journal of Structural Chemistry

Année:

1983

Langue:

english

Fichier:

PDF, 565 KB

english, 1983

26

Redistribution of electron density in SnCl4on complex formation

O. Kh. Poleshchuk, G. N. Dolenko

Journal:

Journal of Structural Chemistry

Année:

1988

Langue:

english

Fichier:

PDF, 153 KB

english, 1988

27

The Mössbauer effect and the dynamics of the atoms in the complex of tin tetrachloride with sulfur nitride

V. A. Varnek, L. N. Mazalov, O. Kh. Poleshchuk, A. V. Zibarev

Journal:

Journal of Structural Chemistry

Année:

1982

Langue:

english

Fichier:

PDF, 307 KB

english, 1982

28

X-ray spectral investigation of the redistribution of electron density during complexation

G. N. Dolenko, A. L. Litvin, V. P. Elin, O. Kh. Poleshchuk

Journal:

Journal of Structural Chemistry

Année:

1992

Langue:

english

Fichier:

PDF, 779 KB

english, 1992

29

Development of hypertension and increased aortic relaxation in spontaneously hypertensive rats after neonatal sympathectomy

T. P. Vakulina, V. S. Poleshchuk, V. G. Pinelis, Kh, M. Markov

Journal:

Bulletin of Experimental Biology and Medicine

Année:

1987

Langue:

english

Fichier:

PDF, 273 KB

english, 1987

30

Effect of dietary linoleic acid content of platelet aggregation and calcium sensitivity and on microviscosity of platelet membranes in rats

A. G. Pinelis, V. S. Poleshchuk, A. I. Kosikov, Kh. M. Markov

Journal:

Bulletin of Experimental Biology and Medicine

Année:

1987

Langue:

english

Fichier:

PDF, 397 KB

english, 1987

31

Electronic structure analysis of 4-chlorophenylisoxazoles and 4-chloroisoxazolines by35Cl NQR spectra and quantum chemical calculations

O. Kh. Poleshchuk, Ya. Koput, T. A. Babushkina, S. D. Sokolov

Journal:

Journal of Structural Chemistry

Année:

1994

Langue:

english

Fichier:

PDF, 408 KB

english, 1994

32

Ab initiocalculation of the nuclear quadrupole resonance parameters of the Sb2Cl10molecule

O. Kh. Poleshchuk, J. Koput, J. Latoshinska

Journal:

Journal of Structural Chemistry

Année:

1996

Langue:

english

Fichier:

PDF, 172 KB

english, 1996

33

19Cl NQR study of the fluorine effect of the aryl substituent on the element-chlorine bond in compounds of subgroup V and VI elements

O. Kh. Poleshchuk, G. G. Furin, I. Latoszinska

Journal:

Journal of Structural Chemistry

Année:

1997

Langue:

english

Fichier:

PDF, 260 KB

english, 1997

34

Reactivity of 2,6-Dichloropurine Ribonucleoside Studied by35Cl NQR Spectroscopy

I. Dobak, M. Ostafin, O. Kh. Poleshchuk, J. Milecki, B. Nogaj

Journal:

Applied Magnetic Resonance

Année:

2008

Langue:

english

Fichier:

PDF, 573 KB

english, 2008

35

Using the Combined Approach of35Cl NQR,14N NQR and DFT Calculations To Study the14N NQR Spectrum of Diazepam

K. Bronisz, M. Ostafin, O. Kh. Poleshchuk, J. Mielcarek, B. Nogaj

Journal:

Applied Magnetic Resonance

Année:

2008

Langue:

english

Fichier:

PDF, 428 KB

english, 2008

36

DFT investigation of the thermodynamics and mechanism of electrophilic chlorination and iodination of arenes

Victor D. Filimonov, Oleg Kh Poleshchuk, Elena A. Krasnokutskaya, Gernot Frenking

Journal:

Journal of Molecular Modeling

Année:

2011

Langue:

english

Fichier:

PDF, 340 KB

english, 2011

37

Ab initio study of the EFG at the N sites in imidazole

Marcos Brown Gonçalves, R. Di Felice, O. Kh. Poleshchuk, H. M. Petrilli

Journal:

Hyperfine Interactions

Année:

2008

Langue:

english

Fichier:

PDF, 226 KB

english, 2008

38

Comparative analysis of a full-electron basis set and pseudopotential for the iodine atom in DFT quantum-chemical calculations of iodine-containing compounds

A. G. Yurieva, O. Kh. Poleshchuk, V. D. Filimonov

Journal:

Journal of Structural Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 122 KB

english, 2008

39

Electronic structures and reactivities of iodinating agents in the gas phase and in solutions: A density functional study

V. D. Filimonov, E. A. Krasnokutskaya, O. Kh. Poleshchuk, Yu. A. Lesina, V. K. Chaikovskii

Journal:

Russian Chemical Bulletin

Année:

2006

Langue:

english

Fichier:

PDF, 417 KB

english, 2006

40

Investigation of the electronic structure of SnCl4L2, TiCl4L2 and SbCl5L complexes by X-ray fluorescence spectroscopy

O.Kh. Poleshchuk, B. Nogaj, J. Kasprzak, J. Koput, G.N. Dolenko, V.P. Elin, A.L. Ivanovskii

Journal:

Journal of Molecular Structure

Année:

1994

Langue:

english

Fichier:

PDF, 568 KB

english, 1994

41

Study of a surface of the potential energy for processes of alkanes free-radical iodination by B3LYP/DGDZVP method

O.Kh. Poleshchuk, A.G. Yureva, V.D. Filimonov, G. Frenking

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2009

Langue:

english

Fichier:

PDF, 471 KB

english, 2009

42

Theoretical analysis of reactions of electrophilic iodination and chlorination of benzene and polycyclic arenes in density functional theory approximation

V. D. Filimonov, E. A. Krasnokytskaya, O. Kh. Poleshchuk, Yu. A. Lesina

Journal:

Russian Journal of Organic Chemistry

Année:

2008

Langue:

english

Fichier:

PDF, 566 KB

english, 2008

43

Donor–Acceptor Bond in Nontransition and Transition Element Complexes: Studies with Natural Bonding Orbital Approach

O. Kh. Poleshchuk, E. L. Kalinina, Yu. A. Shanina, G. Frenking

Journal:

Russian Journal of Coordination Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 39 KB

english, 2003

44

Bonding in Halide and Interhalide Complexes with Ammonia: Studies by Microwave Spectroscopy and Density Functional Theory

O. Kh. Poleshchuk, E. L. Kalinina, A. Legon

Journal:

Russian Journal of Coordination Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 41 KB

english, 2003

45

Structure of the Paramagnetic Products of Thiocyanate Photolysis at 77 K

L. P. Eremin, O. Kh. Poleshchuk, V. A. Poluboyarov, L. V. Babovskaya, A. E. Lapin

Journal:

Journal of Structural Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 111 KB

english, 2003

46

Electronic Effects of CF3Group in Polyfluorinated Toluenes: Infrared, Raman, and Ultraviolet Spectra

O. Kh. Poleshchuk, I. K. Korobeinicheva, O. M. Fugaeva, G. G. Furin

Journal:

Russian Journal of Organic Chemistry

Année:

2003

Langue:

english

Fichier:

PDF, 52 KB

english, 2003

47

New Type of Prototropic Tautomerism Involving Carbon, Hydrogen, and Oxygen Atoms

A. G. Filimoshkin, V. F. Kosolapova, T. V. Petrenko, V. S. Aksenov, O. Kh. Poleshchuk

Journal:

Russian Journal of Organic Chemistry

Année:

2004

Langue:

english

Fichier:

PDF, 72 KB

english, 2004

48

Halogenating and Nitrating Activity of Reagents Based on Sodium Nitrate and Alkali Metal Halides in Acetic Acid

V. D. Filimonov, Yu. Yu. Kulmanakova, M. S. Yusubov, I. A. Perederina, Ki-Whan Chi, O. Kh. Poleshchuk

Journal:

Russian Journal of Organic Chemistry

Année:

2004

Langue:

english

Fichier:

PDF, 94 KB

english, 2004

49

Formation of carbon black in the combustion of homogeneous hexane-air mixtures at pressure up to 1.5 MPa

F. G. Bakirov, N. Kh. Bashirov, V. M. Zakharov, I. Z. Poleshchuk, V. N. Kruzhkov, Z. G. Shaikhutdinov

Journal:

Combustion, Explosion, and Shock Waves

Année:

1982

Langue:

english

Fichier:

PDF, 397 KB

english, 1982

50

Development of a procedure for experimental studies of soot formation during combustion of homogeneous mixture at pressures up to 2 MPa

F. G. Bakirov, N. Kh. Bashirov, V. M. Zakharov, I. Z. Poleshchuk, Z. G. Shaikhutdinov

Journal:

Combustion, Explosion, and Shock Waves

Année:

1982

Langue:

english

Fichier:

PDF, 213 KB

english, 1982