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1

Transition to a circular economy model as an alternative option of solving the problem of solid waste utilization

Larchenko, Lyubov, Kuramshina, Lana, Smyatskaya, J.

Journal:

E3S Web of Conferences

Year:

2020

File:

PDF, 1.38 MB

2020

2

Thermodynamics of vaporization of some freons and halogenated ethanes and propanes

R.M. Varushchenko, A.I. Druzhinina, G.M. Kuramshina, O.V. Dorofeeva

Journal:

Fluid Phase Equilibria

Year:

2007

Language:

english

File:

PDF, 345 KB

english, 2007

3

Yurii Andreevich Pentin (on his 80th birthday)

V. V. Lunin, G. M. Kuramshina, L. V. Vikov, N. E. Kuz’menko, The editorial board and editorial staff of The Russian Journal of Physical Chemistry share in these wishes and congratulations.

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Year:

2006

Language:

english

File:

PDF, 101 KB

english, 2006

4

IR study on chitosan oxidation with sodium chlorite

K. Yu. Murinov, A. R. Kuramshina, R. A. Khisamutdinov, Yu. I. Murinov, N. N. Kabal’nova

Journal:

Russian Journal of General Chemistry

Year:

2010

Language:

english

File:

PDF, 162 KB

english, 2010

5

Synthesis, Structure, and Hydrophosphorylation of π-Complexes Derived from tert-Butyl(1,3-dimethyl-2-butenylidene)amine and Homoligand Iron(0) and Group VIb Metal Carbonyls.

A. I. Kuramshin, E. A. Kuramshina, R. A. Cherkasov

Journal:

Year:

2005

File:

PDF, 9 KB

2005

6

Normal coordinate analysis of CH2ClSiX3, CHCl2SiX3, CCl3SiX3 (X = H, D, F, Cl) Molecules using Tikhonov's regularization method

I.V. Kochikov, G.M. Kuramshina, S.V. Syn'ko, Yu.A. Pentin

Journal:

Journal of Molecular Structure

Year:

1988

Language:

english

File:

PDF, 592 KB

english, 1988

7

Regularizing algorithms for molecular force field calculations

I.V. Kochikov, G.M. Kuramshina, Yu.A. Pentin, A.G. Yagola

Journal:

Journal of Molecular Structure

Year:

1992

Language:

english

File:

PDF, 1.27 MB

english, 1992

8

Searching normal solution of inverse vibrational problem by the method of Monte-Carlo

G.M. Kuramshina, A.V. Lobanov, A.G. Yagola

Journal:

Journal of Molecular Structure

Year:

1995

Language:

english

File:

PDF, 290 KB

english, 1995

9

Stable numerical methods of solving certain inverse problems of vibrational spectroscopy

I.V. Kochikov, G.M. Kuramshina, A.G. Yagola

Journal:

USSR Computational Mathematics and Mathematical Physics

Year:

1987

Language:

english

File:

PDF, 711 KB

english, 1987

10

Structures and vibrational spectra of 5H-dibenz[b,f]azepine and 5H-dibenzo[a,d]cycloheptene-5-ol on the basis of quantum mechanical calculations

G.M. Kuramshina, T. Mogi, H. Takahashi

Journal:

Journal of Molecular Structure

Year:

2003

Language:

english

File:

PDF, 382 KB

english, 2003

11

Ab initio and DFT theoretical studies of pyridoxal-5′-phosphate methylamine Schiff base isomers

G.M. Kuramshina, H. Takahashi

Journal:

Journal of Molecular Structure

Year:

2005

Language:

english

File:

PDF, 316 KB

english, 2005

12

Are 1,5- and 1,7-dihydrodiimidazo[4,5-b:4′,5′-e]pyrazine the main products of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) alkaline hydrolysis? A DFT study of vibrational spectra

Yana Kholod, Sergiy Okovytyy, Gulnara Kuramshina, Mohammad Qasim, Leonid Gorb, John Furey, Patricia Honea, Herbert Fredrickson, Jerzy Leszczynski

Journal:

Journal of Molecular Structure

Year:

2006

Language:

english

File:

PDF, 306 KB

english, 2006

13

Calculation of force fields of chromium, molybdenum and tungsten hexafluorides and dioxodifluorides by means of the Tikchonov regularization method

I.V. Kochikov, A.G. Yagola, G.M. Kuramshina, V.M. Kovba, Yu.A. Pentin

Journal:

Spectrochimica Acta Part A: Molecular Spectroscopy

Year:

1985

Language:

english

File:

PDF, 451 KB

english, 1985

14

Evidence of structural non-planarity in excited state: New findings provided by vibrational analysis of the guanine–cytosine base pair

M.K. Shukla, G.M. Kuramshina, Jerzy Leszczynski

Journal:

Chemical Physics Letters

Year:

2007

Language:

english

File:

PDF, 1.69 MB

english, 2007

15

An analysis of stable forms of CL-20: A DFT study of conformational transitions, infrared and Raman spectra

Yana Kholod, Sergiy Okovytyy, Gulnara Kuramshina, Mohammad Qasim, Leonid Gorb, Jerzy Leszczynski

Journal:

Journal of Molecular Structure

Year:

2007

Language:

english

File:

PDF, 955 KB

english, 2007

16

The combination of deconvolution and density functional theory for the mid-infrared vibrational spectra of stable and unstable rhodium carbonyl clusters

Ayman D. Allian, Yezhong Wang, Mark Saeys, Gulnara M. Kuramshina, Marc Garland

Journal:

Vibrational Spectroscopy

Year:

2006

Language:

english

File:

PDF, 468 KB

english, 2006

17

Rotational isomerism in 1,2-difluoro-1,1,2-trichloro-ethane as studied by vibrational spectroscopy and ab initio calculations

V.M Senyavin, G.M Kuramshina, A.I Gorichev, Yu.A Pentin

Journal:

Journal of Molecular Structure

Year:

2000

Language:

english

File:

PDF, 187 KB

english, 2000

18

The use of ab initio anharmonic force fields in experimental studies of equilibrium molecular geometry

I.V Kochikov, Y.I Tarasov, V.P Spiridonov, G.M Kuramshina, A.S Saakjan, A.G Yagola

Journal:

Journal of Molecular Structure

Year:

2000

Language:

english

File:

PDF, 106 KB

english, 2000

19

The equilibrium structure of thiophene by the combined use of electron diffraction, vibrational spectroscopy and microwave spectroscopy guided by theoretical calculations

I.V. Kochikov, Yu.I. Tarasov, V.P. Spiridonov, G.M. Kuramshina, D.W.H. Rankin, A.S. Saakjan, A.G. Yagola

Journal:

Journal of Molecular Structure

Year:

2001

Language:

english

File:

PDF, 173 KB

english, 2001

20

Constraints on the values of force constants for molecular force field models based on ab initio calculations

G.M. Kuramshina, F. Weinhold

Journal:

Journal of Molecular Structure

Year:

1997

Language:

english

File:

PDF, 356 KB

english, 1997

21

Vibrational spectra, structure, and force fields of perfluorinated cyclo- and bicycloalkanes

V.M. Senyavin, I.V. Kochikov, G.M. Kuramshina

Journal:

Journal of Molecular Structure

Year:

1997

Language:

english

File:

PDF, 332 KB

english, 1997

22

Regularizing algorithm for determination of equilibrium geometry and harmonic force field of free molecules from joint use of electron diffraction, vibrational spectroscopy and ab initio data with application to benzene

I.V. Kochikov, Yu.I. Tarasov, G.M. Kuramshina, V.P. Spiridonov, A.G. Yagola, T.G. Strand

Journal:

Journal of Molecular Structure

Year:

1998

Language:

english

File:

PDF, 1.46 MB

english, 1998

23

DFT force fields, vibrational spectra and potential functions for hindered internal rotation of CF3CH2CH2Cl and CCl3CH2CH2Cl

G.M Kuramshina, Yu.A Pentin

Journal:

Journal of Molecular Structure

Year:

1999

Language:

english

File:

PDF, 90 KB

english, 1999

24

Extension of a regularizing algorithm for the determination of equilibrium geometry and force field of free molecules from joint use of electron diffraction, molecular spectroscopy and ab initio data on systems with large-amplitude oscillatory motion

I.V. Kochikov, Yu.I. Tarasov, V.P. Spiridonov, G.M. Kuramshina, A.G. Yagola, A.S. Saakjan, M.V. Popik, S. Samdal

Journal:

Journal of Molecular Structure

Year:

1999

Language:

english

File:

PDF, 239 KB

english, 1999

25

New approaches for molecular conformer force field analysis in combination with ab initio results

G.M. Kuramshina, Yu.A. Pentin, A.G. Yagola

Journal:

Journal of Molecular Structure

Year:

1999

Language:

english

File:

PDF, 105 KB

english, 1999

26

New approach for the correction of Ab initio molecular force fields in cartesian coordinates

I. V. Kochikov, G. M. Kuramshina, A. V. Stepanova

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 85 KB

english, 2009

27

Force field and mean vibration amplitudes of fluorochloromethane

G. M. Kuramshina, Yu. N. Panchenko, Yu. A. Pentin

Journal:

Journal of Applied Spectroscopy

Year:

1979

Language:

english

File:

PDF, 241 KB

english, 1979

28

Interactive software for experimental data analysis and problem solving in vibrational spectroscopy

I. V. Kochikov, G. M. Kuramshina, S. I. Chernik

Journal:

Computational Mathematics and Modeling

Year:

1992

Language:

english

File:

PDF, 667 KB

english, 1992

29

Ab initiostudy of the structure of 2,2-difluoroethanal in the ground and lowest excited triplet electronic states

V. A. Bataev, E. K. Dolgov, A. V. Abramenkov, G. M. Kuramshina, I. A. Godunov

Journal:

Russian Chemical Bulletin

Year:

2000

Language:

english

File:

PDF, 512 KB

english, 2000

30

Molecular force fields obtained using the nonempirical stabilizer of the regularizing functional

Yu. A. Pentin, G. M. Kuramshina

Journal:

Journal of Structural Chemistry

Year:

1995

Language:

english

File:

PDF, 853 KB

english, 1995

31

A prioriconstraints in the force field calculations of polyatomic molecules

G. M. Kuramshina, A. G. Yagola

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 984 KB

english, 1997

32

Calculated vibrational spectra of glyoxal and oxalyl halides in the ground and first excited singlet electronic states

V. I. Tyulin, G. M. Kuramshina, Yu. A. Pentin, Le Hyu Ho

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 345 KB

english, 1997

33

Conformational isomerism of 3-isopropyl-1,3-dioxane

A. E. Kuramshina, V. V. Kuznetsov

Journal:

Chemistry of Heterocyclic Compounds

Year:

2009

Language:

english

File:

PDF, 242 KB

english, 2009

34

Conformational isomerism of 5-isopropyl-1,3-dioxane

A. E. Kuramshina, V. V. Kuznetsov

Journal:

Chemistry of Heterocyclic Compounds

Year:

2009

File:

PDF, 205 KB

2009

35

Conformational isomerization of 4-methyl-1,3-dioxane

A. E. Kuramshina, S. A. Bochkor, V. V. Kuznetsov

Journal:

Chemistry of Heterocyclic Compounds

Year:

2009

Language:

english

File:

PDF, 282 KB

english, 2009

36

Pathways of conformational isomerization of 4-phenyl-1,3-dioxane

V. V. Kuznetsov, A. E. Kuramshina, S. A. Bochkor

Journal:

Journal of Structural Chemistry

Year:

2009

Language:

english

File:

PDF, 86 KB

english, 2009

37

Synthesis, structure, and hydrophosphorylation of π-complexes derived fromtert-butyl(1,3-dimethyl-2- butenylidene)amine and homoligand iron(0) and group VIb metal carbonyls

A. I. Kuramshin, E. A. Kuramshina, R. A. Cherkasov

Journal:

Russian Journal of Organic Chemistry

Year:

2004

Language:

english

File:

PDF, 146 KB

english, 2004

38

Synthesis of Mesityl Oxide π-Complexes with Metals of Chromium Subgroup and with Iron. Theoretical and Experimental Investigation of the Ligand Dissociation Energy

A. I. Kuramshin, E. A. Kuramshina, R. A. Cherkasov

Journal:

Russian Journal of Organic Chemistry

Year:

2005

Language:

english

File:

PDF, 258 KB

english, 2005

39

DFT theoretical studies of anions of aniline and its several derivatives

N. I. Vakula, G. M. Kuramshina, S. F. Makhmutova, Yu. A. Pentin

Journal:

Structural Chemistry

Year:

2011

Language:

english

File:

PDF, 734 KB

english, 2011

40

The structure, Raman spectra, and force fields of methylbromosilanes CH3SiClnBr3−n(n= 0, 1, 2)

S. V. Sin’ko, G. M. Kuramshina, V. M. Senyavin, Yu. A. Pentin

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Year:

2006

Language:

english

File:

PDF, 177 KB

english, 2006

41

Adsorption properties of complexes of chitosan with copper and zinc chlorides and copper sulfate

O. A. Kolyadina, K. Yu. Murinov, A. R. Kuramshina, N. N. Kabal’nova, Yu. I. Murinov

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Year:

2006

Language:

english

File:

PDF, 145 KB

english, 2006

42

Quantum-mechanical calculations of the structure and vibrational spectra of CH3−nClnSiF3(n= 0–3) substituted methylsilanes

S. V. Sin’ko, G. M. Kuramshina, Yu. A. Pentin

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Year:

2007

Language:

english

File:

PDF, 190 KB

english, 2007

43

Modeling of the influence of conformation, isotopic substitution, and aqueous environment on the vibrational spectrum of L-glutamic acid

G. S. Dotsenko, G. M. Kuramshina, Yu. A. Pentin

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Year:

2010

Language:

english

File:

PDF, 296 KB

english, 2010

44

Conformational analysis of six-membered cyclic carbonates

A. E. Kuramshina, S. A. Bochkor, V. V. Kuznetsov

Journal:

Russian Journal of General Chemistry

Year:

2009

Language:

english

File:

PDF, 162 KB

english, 2009

45

Conformational analysis ofcis-andtrans-isomers of 2,5-dimethyl-1,3-dioxane

M. G. Faizullin, A. E. Kuramshina, A. Kh. Mamleev, V. V. Kuznetsov

Journal:

Russian Journal of General Chemistry

Year:

2009

Language:

english

File:

PDF, 193 KB

english, 2009

46

Oxidative degradation of chitosan under the action of hydrogen peroxide

K. Yu. Murinov, T. V. Romanko, A. R. Kuramshina, N. N. Kabal’nova, Yu. I. Murinov

Journal:

Russian Journal of Applied Chemistry

Year:

2007

Language:

english

File:

PDF, 96 KB

english, 2007

47

Simulation of the potential energy surface of 2-methyl-1,3-dioxane

A. E. Kuramshina, S. A. Bochkor, V. V. Kuznetsov

Journal:

Russian Journal of Organic Chemistry

Year:

2006

File:

PDF, 100 KB

2006

48

Nonempirical study on the potential energy surface of 5-methyl-1,3-dioxane

A. E. Kuramshina, S. A. Bochkor, V. V. Kuznetsov

Journal:

Russian Journal of Organic Chemistry

Year:

2009

Language:

english

File:

PDF, 202 KB

english, 2009

49

Conformational transformations of 4-methyl-1,3-dioxan-2-one

A. E. Kuramshina, S. A. Bochkor, V. V. Kuznetsov

Journal:

Russian Journal of Organic Chemistry

Year:

2009

Language:

english

File:

PDF, 171 KB

english, 2009

50

Conformational analysis of 4-trifluoromethyl-1,3-dioxane

V. V. Kuznetsov, A. E. Kuramshina, S. A. Bochkor

Journal:

Russian Journal of Organic Chemistry

Year:

2009

Language:

english

File:

PDF, 135 KB

english, 2009

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