R. Belosludov

发表

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

H. Takaba, A. Miyamoto, M. Kubo, 2001 .

Theoretical study of donor spacer acceptor structure molecule for use as stable molecular rectifier: geometric and electronic structures

C. Majumder, H. Mizuseki, Y. Kawazoe, 2003 .

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

H. Mizuseki, Y. Kawazoe, N. Venkataramanan, 2010 .

Conceptual design of tetraazaporphyrin- and subtetraazaporphyrin-based functional nanocarbon materials: electronic structures, topologies, optical properties, and methane storage capacities.

Y. Kawazoe, V. Nemykin, R. Belosludov, 2016, Physical chemistry chemical physics : PCCP.

Collective Effect of Transformation of a Hydrogen Bond Network at the Initial State of Growth of Methane Hydrate

R. Belosludov, R. Zhdanov, V. Belosludov, 2022, JETP Letters.

Influence of Nitrogen on Structure, Guest Distribution and Hydrate Formation Conditions of the Mixed CO2–CH4 and CO2–CH4–N2 Gas Hydrates

Y. Kawazoe, R. Belosludov, R. Zhdanov, 2018 .

Influence of N2 on Formation Conditions and Guest Distribution of Mixed CO2 + CH4 Gas Hydrates

Y. Kawazoe, R. Belosludov, R. Zhdanov, 2018, Molecules.

Structural basis for supercooled liquid fragility established by synchrotron-radiation method and computer simulation

Y. Kawazoe, D. V. Louzguine-Luzgin, A. Yavari, 2011 .

Boron Nitride Nanocage Clusters, Nanotubes, Nanohorns, Nanoparticles, and Nanocapsules

M. Inoue, Y. Kawazoe, M. Nishijima, 2009 .

Stoichiometric and ultra-stable nanoparticles of II-VI compound semiconductors

Y. Kawazoe, N. Ohuchi, V. Kumar, 2005 .

Ultra-stable nanoparticles of CdSe revealed from mass spectrometry

Y. Kawazoe, O. Terasaki, A. Kasuya, 2004, Nature materials.

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

A. Miyamoto, M. Kubo, S. Takami, 2004 .

First Excited State Properties and Static Hyperpolarizability of Ruthenium(II) Ammine Complexes.

H. Mizuseki, Y. Kawazoe, Masae Takahashi, 2006, Journal of chemical theory and computation.

Genetic algorithm approach to aromatic molecules for nanoscale device

H. Mizuseki, Y. Kawazoe, R. Belosludov, 2003 .

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

Y. Kawazoe, J. Kudoh, T. Inerbaev, 2002 .

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

A. Endou, A. Miyamoto, M. Kubo, 2004 .

Theoretical study of polarons and self-trapped excited states in one-dimensional C60 crystal

Y. Kawazoe, J. Kudoh, T. Inerbaev, 2006 .

Polaron in a one-dimensional C 60 crystal

Y. Kawazoe, T. Inerbaev, R. Belosludov, 2003 .

Excited state properties and quadratic optical nonlinearities in charged organic chromophores: theoretical analysis.

H. Mizuseki, Y. Kawazoe, Masae Takahashi, 2006, The Journal of chemical physics.

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

Y. Kawazoe, R. Belosludov, V. Belosludov, 1998 .

Theoretical Study of Clathrate Hydrates with Multiple Occupation

Y. Kawazoe, J. Kudoh, M. Sluiter, 2004 .

Thermodynamic Description of Crystalline Water Phases Containing Hydrogen

R. Belosludov, R. Zhdanov, V. Belosludov, 2018, JETP Letters.

Ozone storage capacity in clathrate hydrates formed by O3 + O2 + N2 + CO2 gas mixtures.

Y. Kawazoe, R. Belosludov, R. Zhdanov, 2018, Physical chemistry chemical physics : PCCP.

Theoretical study of phase transitions in Kr and Ar clathrate hydrates from structure II to structure I under pressure.

H. Mizuseki, Y. Kawazoe, J. Kudoh, 2009, The Journal of chemical physics.

Selective gas adsorption in microporous metal-organic frameworks incorporating urotropine basic sites: an experimental and theoretical study.

Y. Kawazoe, D. Samsonenko, S. A. Sapchenko, 2015, Chemical communications.

Electronic and magnetic properties of double-impurities-doped TiO2 (rutile): First-principles calculations

H. Mizuseki, Y. Kawazoe, M. Kawasaki, 2006 .

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

V. Nemykin, A. Spaeth, R. Belosludov, 2015, Inorganic chemistry.

Clusters of Cesium–Lead–Iodide Perovskites in the Zeolite Matrix

Y. Barnakov, I. Dmitruk, R. Belosludov, 2021, ACS omega.

Theoretical modeling of the thermodynamic properties and the phase diagram of binary gas hydrates of argon and hydrogen

R. Belosludov, R. Zhdanov, V. Belosludov, 2017 .

Modular, homochiral, porous coordination polymers: rational design, enantioselective guest exchange sorption and ab initio calculations of host-guest interactions.

H. Mizuseki, Y. Kawazoe, D. Samsonenko, 2010, Chemistry.

Theoretical study of phthalocyanine-fullerene complex for a high efficiency photovoltaic device using ab initio electronic structure calculation

H. Mizuseki, Y. Kawazoe, R. Belosludov, 2003 .

Experimental and Computational Study of the Structure of CdSe Magic-Size Clusters.

A. Kasuya, Yasuto Noda, Y. Barnakov, 2020, Journal of Physical Chemistry A.

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

H. Mizuseki, Y. Kawazoe, R. Belosludov, 2003 .

Laser Ablation of Cdse and Zno: Alkylamine Assisted Formation of Magic Clusters

Y. Kawazoe, A. Kasuya, I. Dmitruk, 2009 .

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

Y. Kawazoe, K. Suganuma, T. Oku, 2007 .

Molecular Dynamics Studies of Surface Difference Effect on Gas Separation by Zeolite Membranes

A. Miyamoto, M. Kubo, S. Takami, 2000 .

Polarons in endohedral Li + @C 60 - dimers and in 1D and 2D crystals

Y. Kawazoe, R. Belosludov, R. Zhdanov, 2017 .

Ultrafine nanoporous intermetallic catalysts by high-temperature liquid metal dealloying for electrochemical hydrogen production

T. Wada, Mingwei Chen, Jiuhui Han, 2022, Nature Communications.

Realization of molecular interconnection for molecular electronics: Theoretical aspects

H. Mizuseki, Y. Kawazoe, R. Belosludov, 2006 .

Theoretical Study on Fe-Based Metal Clusters: Application in Heterogeneous Catalysis

Y. Kawazoe, A. Miyamoto, M. Kubo, 2001 .

Ultra-stable nanoparticles in A(II)B(VI), (A(II) = Cd, Zn; BVI, = S, Se, Te) compounds.

Y. Barnakov, I. Dmitruk, R. Belosludov, 2009, Journal of nanoscience and nanotechnology.

Cluster Investigations in Cyclodextrin Inclusion Compounds: Theory and Experiment

Y. Kawazoe, K. Ohno, R. Belosludov, 2010 .

Ab Initio and DFT Study of the Structures, Vibrations and Energetics of the Urea Dimer and Trimer

Y. Kawazoe, Zhi-Qiang Li, R. Belosludov, 1998 .

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

R. Belosludov, I. Igumenov, I. Golovnev, 1997 .

First-principle study on reactions of diamond (100) surfaces with hydrogen and methyl radicals

A. Miyamoto, T. Ando, M. Kubo, 2000 .

Absolute Stability Boundaries of Clathrate Hydrates of Cubic Structure II

Y. Kawazoe, J. Kudoh, T. Inerbaev, 2002 .

Crystal-like low frequency phonons in the low-density amorphous and high-density amorphous ices.

H. Mizuseki, Y. Kawazoe, R. Belosludov, 2008, The Journal of chemical physics.

Modelling of the structure and vibrational properties of LDA, HDA, and VHDA amorphous ices

Y. Kawazoe, T. Inerbaev, R. Belosludov, 2006 .

Density-functional theory of potassium atoms in zeolite

A. Miyamoto, M. Kubo, S. Takami, 2000 .

Simultaneous Prediction of the Energies of Q x and Q y Bands and Intramolecular Charge-Transfer Transitions in Benzoannulated and Non-Peripherally Substituted Metal-Free Phthalocyanines and Their Analogues: No Standard TDDFT Silver Bullet Yet.

V. Nemykin, R. Belosludov, Dustin E. Nevonen, 2018, The journal of physical chemistry. A.

Initial Report on Molecular and Electronic Structure of Spherical Multiferrocenyl/tin(IV) (Hydr)oxide [(FcSn)12O14(OH)6]X2 Clusters

E. Maligaspe, V. Nemykin, N. Gerasimchuk, 2016 .

Structure and Electronic Properties of Metal Di-(4-thiophenyl)-porphyrin

H. Mizuseki, Y. Kawazoe, R. Belosludov, 2004 .

The role of aromaticity and the pi-conjugated framework in multiporphyrinic systems as single-molecule switches.

H. Mizuseki, Y. Kawazoe, Sang Uck Lee, 2008, Small.

Tuning Up an Electronic Structure of the Subphthalocyanine Derivatives toward Electron-Transfer Process in Noncovalent Complexes with C60 and C70 Fullerenes: Experimental and Theoretical Studies.

V. Nemykin, D. Blank, P. Kiprof, 2016, Inorganic chemistry.

Theoretical Study on Inclusion Complex of Polyaniline Covered by Cyclodextrins for Molecular Device

H. Mizuseki, Y. Kawazoe, R. Belosludov, 2002 .

Control of electron transport by manipulating the conjugated framework

H. Mizuseki, Y. Kawazoe, Sang Uck Lee, 2007 .

Electronic and Transport Properties of Ferrocene: Theoretical Study

H. Mizuseki, Y. Kawazoe, R. Belosludov, 2006 .

Theoretical Study of Conductance Properties of Metallocene

H. Mizuseki, Y. Kawazoe, R. Belosludov, 2006 .

Self-Accelerating CO Sorption in a Soft Nanoporous Crystal

S. Sakaki, S. Kitagawa, Hiroshi Sato, 2014, Science.

Highly controlled acetylene accommodation in a metal–organic microporous material

Y. Kawazoe, Tatsuo C. Kobayashi, S. Kitagawa, 2005, Nature.

1,7-Dipyrene-Containing Aza-BODIPYs: Are Pyrene Groups Effective as Ligands To Promote and Direct Complex Formation with Common Nanocarbon Materials?

Andrew T. Healy, V. Nemykin, D. Blank, 2018, The Journal of Physical Chemistry C.

The lattice dynamics of β‐hydroquinone clathrate

R. Belosludov, V. Belosludov, V. E. Zubkus, 1995 .

Synthesis of Nanocrystalline Yttrium Oxide and Evolution of Morphology and Microstructure during Thermal Decomposition of Y2(C2O4)3·10H2O

A. Matvienko, A. Sidelnikov, R. Belosludov, 2023, Ceramics.

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

H. Mizuseki, Y. Kawazoe, R. Belosludov, 2014 .

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

H. Mizuseki, R. Belosludov, Y. Kawazoe, 2012 .

Giant valley-Zeeman coupling in the surface layer of an intercalated transition metal dichalcogenide

D. Carbone, P. King, A. Rajan, 2023, Nature Materials.

The atomic structure of a bulk metallic glass resolved by scanning tunneling microscopy and ab-initio molecular dynamics simulation

D. A. Muzychenko, A. I. Oreshkin, H. Kato, 2020 .

Electron transport characteristics of organic molecule encapsulated carbon nanotubes.

H. Mizuseki, Y. Kawazoe, Sang Uck Lee, 2011, Nanoscale.

Designing nanogadgetry for nanoelectronic devices with nitrogen-doped capped carbon nanotubes.

H. Mizuseki, Y. Kawazoe, Sang Uck Lee, 2009, Small.

Dynamical and thermodynamical properties of the acetylacetones of copper, aluminium, indium, and rhodium

R. Belosludov, V. Belosludov, I. Igumenov, 1994 .

Synthesis and electrical conductivity of Na3B20

H. Morito, H. Yamane, Takahiro Yamada, 2020 .

Effects of Alkali Adatoms on CO and H2S Adsorptions on the Fe(100) Surface: A Density Functional Theory Study

H. Mizuseki, Y. Kawazoe, R. Belosludov, 2011 .

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

Momoji Kubo, Akira Miyamoto, Seiichi Takami, 2002 .

Glass-transition behavior of Ni: Calculation, prediction, and experiment

Y. Kawazoe, D. V. Louzguine-Luzgin, A. Inoue, 2008 .

Physical Properties and Characterization of the Binary Clathrate Hydrate with Methane + 1,1,1,3,3-Pentafluoropropane (HFC-245fa) + Water

S. Takeya, S. Alavi, R. Ohmura, 2020 .

TiO2 (rutile) doped with double impurities for fabricating spintronic devices—a combinatorial computational approach

H. Mizuseki, Y. Kawazoe, M. Kawasaki, 2004 .

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 expl

H. Mizuseki, Y. Kawazoe, V. Nemykin, 2007, The journal of physical chemistry. A.

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

H. Mizuseki, Y. Kawazoe, R. Belosludov, 2006 .

A theoretical investigation of topological phase modulation in carbide MXenes: Role of image potential states

Y. Kawazoe, T. Kühne, Yunye Liang, 2021 .

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

Y. Kawazoe, Zhi-Qiang Li, M. Sluiter, 1999 .

The mechanisms for pressure-induced amorphization of ice Ih

Y. Kawazoe, I. Swainson, J. Tse, 1999, Nature.

An atomistic study of the structural changes in a Zr–Cu–Ni–Al glass-forming liquid on vitrification monitored in-situ by X-ray diffraction and molecular dynamics simulation

D. V. Louzguine-Luzgin, L. Hennet, J. Andrieux, 2020, Intermetallics.

Transformation of hydrogen bond network during CO2 clathrate hydrate dissociation

Y. Kawazoe, R. Belosludov, R. Zhdanov, 2019, 1904.03853.

Intermolecular Bonds Bridging Two Anthracene Molecules inA γ-Cyclodextrin

Y. Kawazoe, K. Ohno, R. Belosludov, 1999 .

Molecular Dynamics Study of Clathrate-like Ordering of Water in Supersaturated Methane Solution at Low Pressure

Y. Kawazoe, Li-Jen Chen, R. Belosludov, 2023, Molecules.

THERMODYNAMICS AND HYDROGEN STORAGE ABILITY OF BINARY HYDROGEN + HELP GAS CLATHRATE HYDRATE

H. Mizuseki, Y. Kawazoe, J. Kudoh, 2009 .

Computational Materials Science and Computer-aided Materials Design and Processing

H. Mizuseki, Y. Kawazoe, R. Belosludov, 2013 .

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

Yoshiyuki Kawazoe, Rodion V. Belosludov, A. Dmytruk, 2009, Microelectron. J..

Theoretical investigation of ozone hydrate formation conditions

H. Mizuseki, R. Belosludov, V. Belosludov, 2012, Journal of Structural Chemistry.

Physical and Chemical Properties of Gas Hydrates: Theoretical Aspects of Energy Storage Application

Y. Kawazoe, J. Kudoh, R. Belosludov, 2007 .

Microscopic model of clathrate compounds

Y. Kawazoe, R. Belosludov, V. Belosludov, 2006 .

An atomistic level description of guest molecule effect on the formation of hydrate crystal nuclei by ab initio calculations

H. Mizuseki, R. Belosludov, Y. Kawazoe, 2012, Journal of Structural Chemistry.

Modeling the Self-Preservation Effect in Gas Hydrate/Ice Systems

Y. Kawazoe, T. Ikeshoji, R. Belosludov, 2007 .

Modeling the polymorphic transformations in amorphous solid ice

J. Kudoh, R. Belosludov, R. Zhdanov, 2017 .

Fullerene and Sulfur Compounds

Y. Kawazoe, N. Sato, E. Matsubara, 2002 .

Theoretical design of heterogenous catalysts by combinatorial computational chemistry approach: application to Fischer-Tropsch synthesis

Momoji Kubo, Akira Miyamoto, Seiichi Takami, 2001, SPIE OPTO.

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

Y. Kawazoe, N. Surovtsev, R. Belosludov, 2018, Scientific Reports.

Solvation Mechanism of Task-Specific Ionic Liquids in Water: A Combined Investigation Using Classical Molecular Dynamics and Density Functional Theory.

Y. Kawazoe, Takashi Nakamura, A. Muramatsu, 2015, The journal of physical chemistry. B.

Lattice Dynamics Study of the Thermal Expansion of C3H8-, CH4-, CF4-, CO2-, Xe-, and N2-Hydrates

Y. Kawazoe, R. Belosludov, R. Zhdanov, 2020 .

Effect of the synthesis conditions of Ce0.9Gd0.1O1.95 powder on its morphology and characteristics of the oxygen ion-conducting ceramics obtained by spark plasma sintering

A. Matvienko, A. Sidelnikov, R. Belosludov, 2021 .

Axial-Bonding-Driven Dimensionality Effect on the Charge-Density Wave in NbSe2.

Kenji Watanabe, T. Taniguchi, L. Forró, 2022, Nano letters.

Magnetic Circular Dichroism of Transition-Metal Complexes of Perfluorophenyl-N-Confused Porphyrins: Inverting Electronic Structure through a Proton.

Julia M. Fisher, V. Nemykin, R. Belosludov, 2017, The journal of physical chemistry. A.

Understanding Hysteresis in Carbon Dioxide Sorption in Porous Metal-Organic Frameworks.

A. Sheveleva, M. Fedin, M. Barsukova, 2019, Inorganic chemistry.

Elastic moduli and instability in molecular crystals

J. Tse, R. Belosludov, V. Belosludov, 1997 .

ZnO nested shell magic clusters as tetrapod nuclei

A. Kasuya, I. Dmitruk, R. Belosludov, 2017 .

One-photon spectra of CdSe quantum dots calculated using time-dependent density functional theory

Yoshiyuki Kawazoe, Ruth Pachter, P. N. Day, 2009, OPTO.

Simulation Study on Geometric and Electronic Structure of Photovoltaic Molecules

C. Majumder, H. Mizuseki, Y. Kawazoe, 2002 .

Transport Properties of Nanoscale Materials for Molecular Wire Applications: A Case Study of Ferrocene Dimers

H. Mizuseki, Y. Kawazoe, Sang Uck Lee, 2008 .

Electronic and Transport Properties of Doped Organic Molecules for Molecular Wire Applications

H. Mizuseki, Y. Kawazoe, R. Belosludov, 2005 .

Theoretical Study of Chlorin-Fullerene Supramolecular Complexes for Photovoltaic Devices

H. Mizuseki, Y. Kawazoe, R. Belosludov, 2003 .

Phase diagram and composition of water based crystalline phases in hydrogen – Water binary system

Y. Kawazoe, R. Belosludov, R. Zhdanov, 2019, Solid State Communications.

Stability and Composition of Helium Hydrates Based on Ices Ih and II at Low Temperatures

H. Mizuseki, Y. Kawazoe, V. Fomin, 2014 .

Thermodynamic stability of C3H8 hydrate of cubic structure IV using lattice dynamics

H. Mizuseki, Y. Kawazoe, R. Belosludov, 2011 .

Thermodynamic phase behavior of binary clathrate hydrates: Computational prediction

H. Mizuseki, Y. Kawazoe, R. Belosludov, 2010 .

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

Y. Kawazoe, M. Sluiter, T. Inerbaev, 2006 .

Ab Initio Study of Hydrogen Storage in Hydrogen Hydrate Clathrates

Y. Kawazoe, M. Sluiter, R. Belosludov, 2004 .

Ab Initio Study of Hydrogen Hydrate Clathrates for Hydrogen Storage within the ITBL Environment

Amit Jain, Yoshiyuki Kawazoe, Marcel H. F. Sluiter, 2003, ISHPC.

Electronic Structures of Group III–V Element Haeckelite Compounds: A Novel Family of Semiconductors, Dirac Semimetals, and Topological Insulators

H. Mizoguchi, K. Ohno, T. Kühne, 2022, Advanced Functional Materials.

THEORETICAL STUDY OF DONOR–SPACER–ACCEPTOR STRUCTURE MOLECULE FOR STABLE MOLECULAR RECTIFIER

C. Majumder, H. Mizuseki, Y. Kawazoe, 2003 .

Scanning tunneling microscopy study of morphology and electronic properties in (K0.7Na0.3)Fe2−ySe2 single crystal

A. Trifonov, I. Morozov, A. Vasiliev, 2014 .

Gate-induced switching and negative differential resistance in a single-molecule transistor: emergence of fixed and shifting states with molecular length.

H. Mizuseki, Y. Kawazoe, B. Yakobson, 2007, The Journal of chemical physics.

Structural Dependence of Magnetic Shielding Properties in Al4Li4 Clusters

C. Majumder, H. Mizuseki, Y. Kawazoe, 2008 .

Carbon Nanotubes Oscillation under Electric Field

Y. Kawazoe, Sang Uck Lee, R. Belosludov, 2010 .

Mechanical Stability of Gas Hydrates under Pressure

Y. Kawazoe, J. Tse, R. Belosludov, 2000 .

Valley-dimensionality locking of superconductivity in cubic phosphides

K. Akhtari, Long Chen, T. Ideue, 2023, Science Advances.

Role of Methane as a Second Guest Component in Thermodynamic Stability and Isomer Selectivity of Butane Clathrate Hydrates

R. Belosludov, R. Zhdanov, V. Belosludov, 2020 .