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1

Potential energy surfaces in hybrid quantum mechanical/molecular mechanical methods

A. M. Tokmachev, A. L. Tchougréeff

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 141 KB

english, 2001

2

Probabilistic safety assessment for nuclear stations containing VVÉR reactors

Yu. V. Shvyryaev, V. B. Morozov, A. F. Barsukov, A. A. Derevyankin, G. V. Tokmachev

Journal:

Year:

1993

Language:

english

File:

PDF, 551 KB

english, 1993

3

Study of a reagentless cyclic ion exchange process for natural-water treatment

M. G. Tokmachev, N. A. Tikhonov, R. Kh. Khamizov

Journal:

Mathematical Models and Computer Simulations

Year:

2009

Language:

english

File:

PDF, 200 KB

english, 2009

4

Kinetics of the swelling of a gel of cross-linked polyvinyl alcohol during the synthesis of copper-containing composite based on it

S. N. Khudyakova, M. G. Tokmachev…

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Year:

2013

Language:

english

File:

PDF, 353 KB

english, 2013

5

Permeable reactive barriers based on natural zeolites from Kazakhstan in solving ecological problems: Mathematical model and simulation

Nikashina, V. A., Serova, I. B., Kats, E. M., Tokmachev, M. G., Toropchenova, E. S., Zhilkina, A. V., Kuz’mina, T. G., Bulenova, K.

Journal:

Geochemistry International

Year:

2017

Language:

english

File:

PDF, 321 KB

english, 2017

6

Spin gap in heavy fermion compound UBe 13

Storchak, V G, Brewer, J H, Eshchenko, D G, Mengyan, P W, Parfenov, O E, Tokmachev, A M, Dosanjh, P, Fisk, Z, Smith, J L

Journal:

New Journal of Physics

Year:

2016

Language:

english

File:

PDF, 1.46 MB

english, 2016

7

The Effects of Polymer Properties and Solution Composition on the Distribution, Properties, and Amount of Water in Swollen Ion Exchangers

Tokmachev, M. G., Ferapontov, N. B., Agapov, I. O., Trobov, Kh. T.

Journal:

Colloid Journal

Year:

2018

Language:

english

File:

PDF, 282 KB

english, 2018

8

Simulation of capacitive deionization accounting the change of Stern layer thickness

Tokmachev, M. G., Tikhonov, N. A.

Journal:

Journal of Mathematical Chemistry

Year:

2019

Language:

english

File:

PDF, 1.46 MB

english, 2019

9

2D ferromagnetism in europium/graphene bilayer

Sokolov, Ivan, Averyanov, Dmitry, Parfenov, Oleg, Karateev, Igor, Taldenkov, Alexander, Tokmachev, Andrey, Storchak, Vyacheslav

Journal:

Materials Horizons

Year:

2020

Language:

english

File:

PDF, 2.51 MB

english, 2020

10

Hydrogen-Bond Networks in Water Clusters (H2O)20: An Exhaustive Quantum-Chemical Analysis

Andrei M. Tokmachev, Andrei L. Tchougréeff, Richard Dronskowski

Journal:

Year:

2010

Language:

english

File:

PDF, 299 KB

english, 2010

11

Semiempirical implementation of strictly localized geminals for analysis of molecular electronic structure

A. M. Tokmachev, A. L. Tchougréeff

Journal:

Journal of Computational Chemistry

Year:

2001

Language:

english

File:

PDF, 213 KB

english, 2001

12

Transferability of parameters of strictly local geminals' wave function and possibility of sequential derivation of molecular mechanics

A. M. Tokmachev, A. L. Tchougréeff

Journal:

Journal of Computational Chemistry

Year:

2005

Language:

english

File:

PDF, 179 KB

english, 2005

13

Electron group functions for the analysis of the electronic structures of molecules

A. M. Tokmachev, R. Dronskowski

Journal:

Journal of Computational Chemistry

Year:

2006

Language:

english

File:

PDF, 154 KB

english, 2006

14

Hydrogen-bond networks in finite ice nanotubes

A. M. Tokmachev, R. Dronskowski

Journal:

Journal of Computational Chemistry

Year:

2011

Language:

english

File:

PDF, 255 KB

english, 2011

15

A geminal model for the electronic structures of extended systems

A.M. Tokmachev, R. Dronskowski

Journal:

Chemical Physics

Year:

2006

Language:

english

File:

PDF, 179 KB

english, 2006

16

Kinetics of uranium sorption onto weakly basic anion exchangers

Marcel Riegel, Mikhail Tokmachev, Wolfgang H. Hoell

Journal:

Reactive and Functional Polymers

Year:

2008

Language:

english

File:

PDF, 250 KB

english, 2008

17

Local many-electron states in transition metal oxides and their surface complexes with atomic and molecular oxygen

A.M. Tokmachev, A.L. Tchougréeff

Journal:

Journal of Solid State Chemistry

Year:

2003

Language:

english

File:

PDF, 214 KB

english, 2003

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

Generic molecular mechanics as based on local quantum description of molecular electronic structure

A. M. Tokmachev, A. L. Tchougréeff

Journal:

International Journal of Quantum Chemistry

Year:

2002

Language:

english

File:

PDF, 156 KB

english, 2002

21

Ionization potentials within semiempirical antisymmetrized product of strictly localized geminals approach

A. M. Tokmachev, A. L. Tchougréeff, I. A. Misurkin

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 148 KB

english, 2001

22

Deductive molecular mechanics of sp3 carbon atom

A. L. Tchougréeff, A. M. Tokmachev

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 133 KB

english, 2004

23

Effective Hamiltonian approach to catalytic activity of transition metal complexes

A. M. Tokmachev, A. L. Tchougréeff, I. A. Misurkin

Journal:

International Journal of Quantum Chemistry

Year:

2001

Language:

english

File:

PDF, 181 KB

english, 2001

24

Deductive molecular mechanics of sp3 nitrogen atom and its application to analysis of a QM/MM interface

A. L. Tchougréeff, A. M. Tokmachev

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 124 KB

english, 2004

25

Group functions approach based on the combination of strictly local geminals and molecular orbitals

A. M. Tokmachev, A. L. Tchougréeff

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 171 KB

english, 2006

26

MNDO parameterized hybrid SLG/SCF method as used for molecular modeling of Zn(II) complexes

M. B. Darkhovskii, A. M. Tokmachev, A. L. Tchougréeff

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 206 KB

english, 2006

27

Towards a possible ab initio molecular mechanics. Transferability of density matrix elements

A. L. Tchougréeff, A. M. Tokmachev, I. Mayer

Journal:

International Journal of Quantum Chemistry

Year:

2007

Language:

english

File:

PDF, 204 KB

english, 2007

28

Efficient generation of Heisenberg Hamiltonian matrices for VB calculations of potential energy surfaces

A. M. Tokmachev, M. A. Robb

Journal:

International Journal of Quantum Chemistry

Year:

2009

Language:

english

File:

PDF, 367 KB

english, 2009

29

Probabilistic modeling of accident sequences for power plants with VVÉR-440 reactors

Yu. V. Shvyryaev, A. A. Derevyankin, G. V. Tokmachev

Journal:

Year:

1992

Language:

english

File:

PDF, 424 KB

english, 1992

30

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

31

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

32

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

33

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

34

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

35

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

36

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

37

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

38

Use of probabilistic analysis in safety validation of AES-2006 designed for the Novovoronezh nuclear power plant site

Yu. V. Shvyryaev, V. B. Morozov, G. V. Tokmachev, E. V. Baikova, V. R. Chulukhadze, M. V. Fedulov

Journal:

Year:

2009

Language:

english

File:

PDF, 113 KB

english, 2009

39

Mathematical modelling of low-frequency oscillations in solute transport by diffusion through a membrane

N. A. Tikhonov, M. G. Tokmachev

Journal:

Journal of Mathematical Chemistry

Year:

2011

Language:

english

File:

PDF, 367 KB

english, 2011

40

Investigation of cyclic self-sustaining ion exchange process for softening water solutions on the basis of mathematical modeling

M.G. Tokmachev, N.A. Tikhonov, R.Kh. Khamizov

Journal:

Reactive and Functional Polymers

Year:

2008

Language:

english

File:

PDF, 502 KB

english, 2008

41

Ways to improve the prediction quality in the adaptive algorithm of automated annotation (A4)

A. M. Leontovich, K. Yu. Tokmachev

Journal:

Year:

2006

Language:

english

File:

PDF, 162 KB

english, 2006

42

The properties of water in swollen cross-linked polystyrene sulfo acids

A. N. Gagarin, M. G. Tokmachev, S. S. Kovaleva, N. B. Ferapontov

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Year:

2008

Language:

english

File:

PDF, 180 KB

english, 2008

43

The properties of water in solutions of hydrophilic polymers

N. B. Ferapontov, M. G. Tokmachev, A. N. Gagarin

Journal:

Russian Journal of Physical Chemistry A, Focus on Chemistry

Year:

2009

Language:

english

File:

PDF, 160 KB

english, 2009

44

High-sensitivity X-ray fluorescence analysis of solutions with the use of a sorption accumulation microsystem

R. Kh. Khamizov, A. N. Gruzdeva, M. G. Tokmachev, G. I. Tsizin, N. A. Tikhonov, M. A. Kumakhov

Journal:

Journal of Analytical Chemistry

Year:

2009

Language:

english

File:

PDF, 270 KB

english, 2009

45

Sorption process of toxic pollutions by natural zeolite as a geochemical barrier

M. G. Tokmachev, N. A. Tikhonov, V. A. Nikashina, L. N. Bannykh

Journal:

Mathematical Models and Computer Simulations

Year:

2010

Language:

english

File:

PDF, 212 KB

english, 2010

46

A study of the applicability of a method for successive determination of the kinetic coefficients of sorption on the basis of mathematical modeling

M. G. Tokmachev, M. Riegel, W. Hoell

Journal:

Moscow University Physics Bulletin

Year:

2008

Language:

english

File:

PDF, 162 KB

english, 2008

47

Study of a low-frequency oscillation phenomena associated with a diffusion process via a hollow-fiber membrane

N. A. Tikhonov, M. G. Tokmachev

Journal:

Moscow University Physics Bulletin

Year:

2010

Language:

english

File:

PDF, 196 KB

english, 2010

48

Quantum-chemical estimates of geometric parameters of free radicals

N. D. Chuvylkin, A. M. Tokmachev

Journal:

Russian Chemical Bulletin

Year:

2001

Language:

english

File:

PDF, 281 KB

english, 2001

49

Automatic Quantum-Chemical Procedure for Correction of Optimized Spatial Structures of Free Radical Systems Based on Their Experimental Magnetic Resonance Parameters

N. D. Chuvylkin, I. A. Suslov, A. M. Tokmachev

Journal:

Journal of Structural Chemistry

Year:

2002

Language:

english

File:

PDF, 89 KB

english, 2002

50

Quantum-chemical analysis of the coordination of nitroxide probes by Lewis acid sites on the surface of Al2O3

Nikolai D. Chuvylkin, Andrei M. Tokmachev, Alexander V. Fionov, Elena V. Lunina

Journal:

Mendeleev Communications

Year:

1997

Language:

english

File:

PDF, 85 KB

english, 1997

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