V.R. Belosludov : rechercher sur Z-Library

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1

Theoretical study of insulated wires based on polymer chains encapsulated in molecular nanotubes

Rodion V. Belosludov, Hiroyuki Sato, Amir A. Farajian, Hiroshi Mizuseki, Yoshiyuki Kawazoe

Journal:

Thin Solid Films

Année:

2003

Langue:

english

Fichier:

PDF, 448 KB

english, 2003

2

Theoretical study of structures, energetics, and electronic properties of small urea clusters by ab initio calculations

R.V. Belosludov, Zhi-Qiang Li, Yoshiyuki Kawazoe

Journal:

Journal of Inorganic Biochemistry

Année:

1997

Langue:

english

Fichier:

PDF, 51 KB

english, 1997

3

10.1038/23216

Tse, J. S., Klug, D. D., Tulk, C. A., Swainson, I., Svensson, E. C., Loong, C.-K., Shpakov, V., Belosludov, V. R., Belosludov, R. V., Kawazoe, Y.

Journal:

Année:

1999

Langue:

english

Fichier:

PDF, 134 KB

english, 1999

4

Influence of Molecular Geometry, Exchange-Correlation Functional, and Solvent Effects in the Modeling of Vertical Excitation Energies in Phthalocyanines Using Time-Dependent Density Functional Theory (TDDFT) and Polarized Continuum Model TDDFT Methods: Can Modern Computational Chemistry Methods Explain Experimental Controversies?

Nemykin, Victor N., Hadt, Ryan G., Belosludov, Rodion V., Mizuseki, Hiroshi, Kawazoe, Yoshiyuki

Journal:

Journal of Physical Chemistry A

Année:

2007

Langue:

english

Fichier:

PDF, 627 KB

english, 2007

5

Dynamics and equation of state of hydrogen clathrate hydrate as a function of cage occupation

Talgat M. Inerbaev, Vladimir R. Belosludov, Rodion V. Belosludov, Marcel Sluiter, Yoshiyuki Kawazoe

Journal:

Computational Materials Science

Année:

2006

Langue:

english

Fichier:

PDF, 310 KB

english, 2006

6

Theoretical modelling of the phase diagrams of clathrate hydrates for hydrogen storage applications

Belosludov, R. V., Zhdanov, R. K., Subbotin, O. S., Mizuseki, H., Souissi, M., Kawazoe, Y., Belosludov, V. R.

Journal:

Molecular Simulation

Année:

2012

Langue:

english

Fichier:

PDF, 453 KB

english, 2012

7

Self-Accelerating CO Sorption in a Soft Nanoporous Crystal

Sato, H., Kosaka, W., Matsuda, R., Hori, A., Hijikata, Y., Belosludov, R. V., Sakaki, S., Takata, M., Kitagawa, S.

Journal:

Année:

2014

Langue:

english

Fichier:

PDF, 1.04 MB

english, 2014

8

Theoretical study of hydrogen storage in binary hydrogen-methane clathrate hydrates

Belosludov, R. V., Zhdanov, R. K., Subbotin, O. S., Mizuseki, H., Kawazoe, Y., Belosludov, V. R.

Journal:

Journal of Renewable and Sustainable Energy

Année:

2014

Langue:

english

Fichier:

PDF, 2.85 MB

english, 2014

9

Probing Electronic Communications in Heterotrinuclear Fe–Ru–Fe Molecular Wires Formed by Ruthenium(II) Tetraphenylporphyrin and Isocyanoferrocene or 1,1′-Diisocyanoferrocene Ligands

Nemykin, Victor N., Dudkin, Semyon V., Fathi-Rasekh, Mahtab, Spaeth, Andrew D., Rhoda, Hannah M., Belosludov, Rodion V., Barybin, Mikhail V.

Journal:

Inorganic Chemistry

Année:

2015

Langue:

english

Fichier:

PDF, 3.07 MB

english, 2015

10

Ozone Storage Capacity in Clathrate Hydrates Formed by O3 + O2 + N2 + CO2 Gas Mixtures

Subbotin, Oleg Sergeevich, Bozhko, Yulia Yu., Gets, Kirill V., Zhdanov, Ravil, Belosludov, Vladimir R., Belosludov, Rodion V, Kawazoe, Yoshiyuki

Journal:

Physical Chemistry Chemical Physics

Année:

2018

Langue:

english

Fichier:

PDF, 1.12 MB

english, 2018

11

Transformation of hydrogen bond network during CO2 clathrate hydrate dissociation

Gets, Kirill, Belosludov, Vladimir, Zhdanov, Ravil, Bozhko, Yulia, Belosludov, Rodion, Subbotin, Oleg, Marasanov, Nikita, Kawazoe, Yoshiyuki

Journal:

Applied Surface Science

Année:

2020

Langue:

english

Fichier:

PDF, 1.56 MB

english, 2020

12

The nano-structural inhomogeneity of dynamic hydrogen bond network of TIP4P/2005 water

Belosludov, Vladimir, Gets, Kirill, Zhdanov, Ravil, Malinovsky, Valery, Bozhko, Yulia, Belosludov, Rodion, Surovtsev, Nikolay, Subbotin, Oleg, Kawazoe, Yoshiyuki

Journal:

Scientific Reports

Année:

2020

Fichier:

PDF, 7.45 MB

2020

13

ChemInform Abstract: Cluster Investigations in Cyclodextrin Inclusion Compounds: Theory and Experiment

Rodion Belosludov, Takehisa Yoshinari, Tohru Hiwada, Yoshiyuki Kawazoe, Kaoru Ohno, Shin-ichiro Nagasaka

Journal:

Année:

2002

Fichier:

PDF, 23 KB

2002

14

Combinatorial Computational Chemistry Approach in the Design of New Catalysts and Functional Materials

Rodion V. Belosludov, Seiichi Takami, Momoji Kubo, Akira Miyamoto

Journal:

Année:

2004

Fichier:

PDF, 52 KB

2004

15

Intermolecular Bonds Bridging Two Anthracene Molecules inA γ-Cyclodextrin

Rodion Belosludov, Tohru Hiwada, Yoshiyuki Kawazoe, Kaoru Ohno, Takehisa Yoshinari, Akimasa Ohnishi, Shin-ichiro Nagasaka

Journal:

Journal of Solid State Chemistry

Année:

1999

Langue:

english

Fichier:

PDF, 347 KB

english, 1999

16

ZnO clusters: Laser ablation production and time-of-flight mass spectroscopic study

A. Dmytruk, I. Dmitruk, I. Blonskyy, R. Belosludov, Y. Kawazoe, A. Kasuya

Journal:

Microelectronics Journal

Année:

2009

Langue:

english

Fichier:

PDF, 159 KB

english, 2009

17

Influence of the hole ordering in the copper-oxygen planes on the YBA2Cu3O7 vibrational frequencies

V.R. Belosludov, M.Yu. Lavrent'ev, S.A. Syskin

Journal:

Physica C: Superconductivity

Année:

1991

Langue:

english

Fichier:

PDF, 248 KB

english, 1991

18

Model of interatomic interaction and dynamic and thermodynamic properties of Tl2CaBa2Cu2O8

V.R. Belosludov, M.Yu. Lavrent'ev, S.A. Syskin

Journal:

Physica C: Superconductivity

Année:

1991

Langue:

english

Fichier:

PDF, 191 KB

english, 1991

19

Design of new catalysts for ecological high-quality transportation fuels by combinatorial computational chemistry and tight-binding quantum chemical molecular dynamics approaches

Momoji Kubo, Tsuguo Kubota, Changho Jung, Minako Ando, Satoshi Sakahara, Kenji Yajima, Kotaro Seki, Rodion Belosludov, Akira Endou, Seiichi Takami, Akira Miyamoto

Journal:

Catalysis Today

Année:

2004

Langue:

english

Fichier:

PDF, 570 KB

english, 2004

20

Theoretical investigation on the alkali-metal doped BN fullerene as a material for hydrogen storage

Natarajan Sathiyamoorthy Venkataramanan, Rodion Vladimirovich Belosludov, Ryunosuke Note, Ryoji Sahara, Hiroshi Mizuseki, Yoshiyuki Kawazoe

Journal:

Chemical Physics

Année:

2010

Langue:

english

Fichier:

PDF, 739 KB

english, 2010

21

Theoretical study on junctions in porphyrin oligomers for nanoscale devices

Hiroshi Mizuseki, Rodion V. Belosludov, Amir A. Farajian, Nobuaki Igarashi, Yoshiyuki Kawazoe

Journal:

Materials Science and Engineering: C

Année:

2005

Langue:

english

Fichier:

PDF, 495 KB

english, 2005

22

Formation and atomic structure of boron nitride nanotubes with a cup-stacked structure

Takeo Oku, Naruhiro Koi, Katsuaki Suganuma, Rodion V. Belosludov, Yoshiyuki Kawazoe

Journal:

Solid State Communications

Année:

2007

Langue:

english

Fichier:

PDF, 2.92 MB

english, 2007

23

Elastic moduli calculation and instability in structure I methane clathrate hydrate

V.P. Shpakov, J.S. Tse, C.A. Tulk, B. Kvamme, V.R. Belosludov

Journal:

Chemical Physics Letters

Année:

1998

Langue:

english

Fichier:

PDF, 142 KB

english, 1998

24

Ab initio and lattice dynamics studies of the vibrational and geometrical properties of the molecular complex of hydroquinone and C60

Rodion V. Belosludov, Marcel Sluiter, Zhi-Qiang Li, Yoshiyuki Kawazoe

Journal:

Chemical Physics Letters

Année:

1999

Langue:

english

Fichier:

PDF, 272 KB

english, 1999

25

Lattice dynamics of helium gas hydrates based on ice framework: dynamic and thermodynamic stability

Rodion V. Belosludov, Yoshiyuki Kawazoe, E.V. Grachev, Yu A. Dyadin, V.R. Belosludov

Journal:

Solid State Communications

Année:

1998

Langue:

english

Fichier:

PDF, 138 KB

english, 1998

26

Numerical simulation of scattering of the molecules of yttrium tris(dipivaloymethane) (Y(C11H19O2) 3) in the potential field of crystal MgO and the formation of a near-surface layer

I.F. Golovnev, A.P. Kalinina, O.V. Khokhlov, R.V. Belosludov, I.K. Igumenov

Journal:

Thin Solid Films

Année:

1997

Langue:

english

Fichier:

PDF, 604 KB

english, 1997

27

Combinatorial computational chemistry approach to the design of methanol synthesis catalyst

Satoshi Sakahara, Kenji Yajima, Rodion Belosludov, Seiichi Takami, Momoji Kubo, Akira Miyamoto

Journal:

Applied Surface Science

Année:

2002

Langue:

english

Fichier:

PDF, 203 KB

english, 2002

28

Molecular dynamics calculations of CO2/N2 mixture through the NaY type zeolite membrane

Koichi Mizukami, Hiromitsu Takaba, Yasunori Kobayashi, Yasunori Oumi, Rodion V Belosludov, Seiichi Takami, Momoji Kubo, Akira Miyamoto

Journal:

Journal of Membrane Science

Année:

2001

Langue:

english

Fichier:

PDF, 804 KB

english, 2001

29

Phase diagram and phase separation of cuprate oxides in decorated Ising model

N.A. Nemov, V.R. Belosludov

Journal:

Physica C: Superconductivity

Année:

1998

Langue:

english

Fichier:

PDF, 140 KB

english, 1998

30

Electronic transport through benzene molecule: effect of gold contacts

Amir A. Farajian, Rodion V. Belosludov, Hiroshi Mizuseki, Yoshiyuki Kawazoe

Journal:

Physica E: Low-dimensional Systems and Nanostructures

Année:

2003

Langue:

english

Fichier:

PDF, 77 KB

english, 2003

31

Molecular orbital analysis of frontier orbitals for molecular electronics: a case study of unimolecular rectifier and photovoltaic cell

Hiroshi Mizuseki, Rodion V. Belosludov, Amir A. Farajian, Nobuaki Igarashi, Jian-Tao Wang, Hao Chen, Chiranjib Majumder, Shigeyuki Miura, Yoshiyuki Kawazoe

Journal:

Science and Technology of Advanced Materials

Année:

2003

Langue:

english

Fichier:

PDF, 481 KB

english, 2003

32

Absolute Stability Boundaries of Clathrate Hydrates of Cubic Structure II

Vladimir R Belosludov, Talgat M Inerbaev, Rodion V Belosludov, Jun-ichi Kudoh, Yoshiyuki Kawazoe

Journal:

Journal of Supramolecular Chemistry

Année:

2002

Langue:

english

Fichier:

PDF, 188 KB

english, 2002

33

Thermal expansion and lattice distortion of clathrate hydrates of cubic structures I and II

Vladimir R. Belosludov, Talgat M. Inerbaev, Oleg S. Subbotin, Rodion V. Belosludov, Jun-ichi Kudoh, Yoshiyuki Kawazoe

Journal:

Journal of Supramolecular Chemistry

Année:

2002

Langue:

english

Fichier:

PDF, 183 KB

english, 2002

34

Entropy and Heat Capacity of an Anharmonic Crystal

K. R. Zhdanov, V. R. Belosludov, F. S. Rakhmenkulov

Journal:

physica status solidi (b)

Année:

1985

Langue:

english

Fichier:

PDF, 151 KB

english, 1985

35

Dynamical Properties of the Molecular Crystals with Electrostatic Interaction Taken into Account. Low Pressure Ice Phases (Ih and Ic)

V. R. Belosludov, M. Yu. Lavrentiev, S. A. Syskin

Journal:

physica status solidi (b)

Année:

1988

Langue:

english

Fichier:

PDF, 493 KB

english, 1988

36

The Role of Aromaticity and the π-Conjugated Framework in Multiporphyrinic Systems as Single-Molecule Switches

Sang Uck Lee, Rodion V. Belosludov, Hiroshi Mizuseki, Yoshiyuki Kawazoe

Journal:

Année:

2008

Langue:

english

Fichier:

PDF, 515 KB

english, 2008

37

Designing Nanogadgetry for Nanoelectronic Devices with Nitrogen-Doped Capped Carbon Nanotubes

Sang Uck Lee, Rodion V. Belosludov, Hiroshi Mizuseki, Yoshiyuki Kawazoe

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 790 KB

english, 2009

38

Dynamics of the C60molecule

V. R. Belosludov, V. P. Shpakov

Journal:

Journal of Structural Chemistry

Année:

1993

Langue:

english

Fichier:

PDF, 255 KB

english, 1993

39

Theory of Clathrates

V. R. Belosludov, M. Yu. Lavrentiev, Yu. A. Dyadin

Journal:

Journal of Inclusion Phenomena and Macrocyclic Chemistry

Année:

1991

Langue:

english

Fichier:

PDF, 1.39 MB

english, 1991

40

Dynamic and thermodynamic properties of clathrate hydrates

V. R. Belosludov, M. Yu. Lavrentiev, Yu. A. Dyadin, S. A. Syskin

Journal:

Journal of Inclusion Phenomena and Macrocyclic Chemistry

Année:

1990

Langue:

english

Fichier:

PDF, 641 KB

english, 1990

41

Factors affecting convergence in LMTO calculations of the electronic structure of complex crystals

S. L. Kas’yanov, V. M. Tapilin, V. R. Belosludov

Journal:

Journal of Structural Chemistry

Année:

1997

Langue:

english

Fichier:

PDF, 456 KB

english, 1997

42

Thermodynamic stability of C3H8hydrate of cubic structure IV using lattice dynamics

Maaouia Souissi, Rodion V. Belosludov, Oleg S. Subbotin, Hiroshi Mizuseki, Yoshiyuki Kawazoe, Vladimir R. Belosludov

Journal:

Journal of Inclusion Phenomena and Macrocyclic Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 460 KB

english, 2011

43

Regions of stability for LDA, HDA, and VHDA amorphous ices

O. S. Subbotin, V. R. Belosludov

Journal:

Journal of Structural Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 109 KB

english, 2006

44

Calculations of van der Waals interaction energies for Al, Cr, Fe, and Ir acetylacetonate crystals

O. V. Prokuda, V. R. Belosludov, I. K. Igumenov, P. A. Stabnikov

Journal:

Journal of Structural Chemistry

Année:

2006

Langue:

english

Fichier:

PDF, 204 KB

english, 2006

45

Genetic algorithm approach to aromatic molecules for nanoscale device

Hiroshi Mizuseki, Nobuaki Igarashi, Rodion V. Belosludov, Amir A. Farajian, Yoshiyuki Kawazoe

Journal:

Materials Science and Engineering: C

Année:

2003

Langue:

english

Fichier:

PDF, 125 KB

english, 2003

46

A general-purpose approach for calculating transport in contact–molecule–contact systems: TARABORD implementation and application to a polythiophene-based nanodevice

Amir A. Farajian, Rodion V. Belosludov, Hiroshi Mizuseki, Yoshiyuki Kawazoe

Journal:

Thin Solid Films

Année:

2006

Langue:

english

Fichier:

PDF, 235 KB

english, 2006

47

Density-functional theory of potassium atoms in zeolite

Keshav N. Shrivastava, Rodion Belosludov, Nurbosyn Zhanpeisov, S. Takami, M. Kubo, Akira Miyamoto

Journal:

Chemical Physics Letters

Année:

2000

Langue:

english

Fichier:

PDF, 111 KB

english, 2000

48

Combinatorial computational chemistry approach as a promising method for design of Fischer–Tropsch catalysts based on Fe and Co

Rodion V Belosludov, Satoshi Sakahara, Kenji Yajima, Seiichi Takami, Momoji Kubo, Akira Miyamoto

Journal:

Applied Surface Science

Année:

2002

Langue:

english

Fichier:

PDF, 313 KB

english, 2002

49

Mechanical Stability of Gas Hydrates under Pressure

V. R. BELOSLUDOV, V. P. SHPAKOV, J. S. TSE, R. V. BELOSLUDOV, Y. KAWAZOE

Journal:

Annals of the New York Academy of Sciences

Année:

2000

Langue:

english

Fichier:

PDF, 630 KB

english, 2000

50

Highly controlled acetylene accommodation in a metal–organic microporous material

Matsuda, Ryotaro, Kitaura, Ryo, Kitagawa, Susumu, Kubota, Yoshiki, Belosludov, Rodion V., Kobayashi, Tatsuo C., Sakamoto, Hirotoshi, Chiba, Takashi, Takata, Masaki, Kawazoe, Yoshiyuki

Journal:

Année:

2005

Langue:

english

Fichier:

PDF, 384 KB

english, 2005