M. Mikami

发表

Rapid estimation of elastic constants by molecular dynamics simulation under constant stress

M. Shiga, W. Shinoda, M. Mikami, 2004 .

Origin of attraction and directionality of the pi/pi interaction: model chemistry calculations of benzene dimer interaction.

S. Tsuzuki, K. Tanabe, M. Mikami, 2002, Journal of the American Chemical Society.

Free-energy calculation via mean-force dynamics using a logarithmic energy landscape.

H. Okumura, M. Mikami, T. Morishita, 2012, Physical review. E, Statistical, nonlinear, and soft matter physics.

Magnitude and directionality of the interaction energy of the aliphatic CH/pi interaction: significant difference from hydrogen bond.

S. Tsuzuki, A. Fujii, M. Mikami, 2006, The journal of physical chemistry. A.

Ab initio calculations of structures and interaction energies of toluene dimers including CCSD(T) level electron correlation correction.

Kazumasa Honda, Masuhiro Mikami, Tadafumi Uchimaru, 2005, The Journal of chemical physics.

Intermolecular interaction between hexafluorobenzene and benzene: Ab initio calculations including CCSD(T) level electron correlation correction.

Masuhiro Mikami, Tadafumi Uchimaru, Seiji Tsuzuki, 2006, The journal of physical chemistry. A.

Effects of conformational flexibility of alkyl chains of cations on diffusion of ions in ionic liquids.

H. Matsumoto, S. Tsuzuki, W. Shinoda, 2011, Physical chemistry chemical physics : PCCP.

Intermolecular interaction between the pendant chain of perfluorinated ionomer and methanol

S. Tsuzuki, W. Shinoda, S. Urata, 2005 .

Theoretical analysis of the hydrogen bond of imidazolium C(2)-H with anions.

S. Tsuzuki, H. Tokuda, M. Mikami, 2007, Physical chemistry chemical physics : PCCP.

CH/pi interactions in methane clusters with polycyclic aromatic hydrocarbons.

S. Tsuzuki, A. Fujii, M. Mikami, 2008, Physical chemistry chemical physics : PCCP.

Molecular Dynamics Study on the Effect of Chain Branching on the Physical Properties of Lipid Bilayers: Structural Stability

W. Shinoda, M. Mikami, M. Hato, 2003 .

Estimated MP2 and CCSD(T) interaction energies of n-alkane dimers at the basis set limit: comparison of the methods of Helgaker et al. and Feller.

Kazumasa Honda, Masuhiro Mikami, Tadafumi Uchimaru, 2006, The Journal of chemical physics.

Magnitude of Interaction between n-Alkane Chains and Its Anisotropy: High-Level ab Initio Calculations of n-Butane, n-Petane, and n-Hexane Dimers

S. Tsuzuki, M. Mikami, K. Honda, 2004 .

High-Level ab Initio Calculations of Interaction Energies of C2H4-CH4and C2H6-CH4Dimers: A Model Study of CH/π Interaction

Kazumasa Honda, Masuhiro Mikami, Kazutoshi Tanabe, 1999 .

Molecular dynamics simulation of swollen membrane of perfluorinated ionomer.

S. Tsuzuki, W. Shinoda, S. Urata, 2005, The journal of physical chemistry. B.

Analysis of interactions between 1-butyl-3-methylimidazolium cation and halide anions (Cl−, Br− and I−) by ab initio calculations: anion size effects on preferential locations of anions

S. Tsuzuki, R. Katoh, M. Mikami, 2008 .

Intermolecular interaction between the pendant chain of perfluorinated ionomer and water

S. Tsuzuki, W. Shinoda, S. Urata, 2004 .

Spatial confinement effect on the atomic structure of solid argon.

W. Shinoda, M. Mikami, T. Morishita, 2005, The Journal of chemical physics.

Effect of rigidity on the crystallization processes of short polymer melts.

T. Miura, M. Mikami, Y. Tanabe, 2001, Physical review. E, Statistical, nonlinear, and soft matter physics.

TORSIONAL POTENTIAL OF BIPHENYL : AB INITIO CALCULATIONS WITH THE DUNNING CORRELATION CONSISTED BASIS SETS

S. Tsuzuki, K. Tanabe, M. Mikami, 1999 .

Screening at doped nanotube junctions beyond linear response

K. Esfarjani, M. Mikami, A. Farajian, 2002 .

Electronic and mechanical properties of C60-doped nanotubes

M. Mikami, A. Farajian, 2001 .

The electronic and structural properties of novel organomodified Si nanosheets.

I. Snook, H. Nakano, M. Spencer, 2011, Physical chemistry chemical physics : PCCP.

Origin of attraction, magnitude, and directionality of interactions in benzene complexes with pyridinium cations.

S. Tsuzuki, S. Yamada, M. Mikami, 2007, Journal of the American Chemical Society.

Magnitude and orientation dependence of intermolecular interaction of perfluoropropane dimer studied by high-level ab initio calculations: comparison with propane dimer.

S. Tsuzuki, S. Urata, M. Mikami, 2004, The Journal of chemical physics.

Molecular dynamics study of the effects of chain properties on the order formation dynamics of self-assembled monolayers of long-chain molecules.

T. Miura, M. Mikami, 2010, Physical review. E, Statistical, nonlinear, and soft matter physics.

Molecular dynamics study of the methanol effect on the membrane morphology of perfluorosulfonic ionomers.

S. Tsuzuki, W. Shinoda, S. Urata, 2005, The journal of physical chemistry. B.

Replica-exchange Monte Carlo method for the isobaric isothermal ensemble

Yuko Okamoto, Masuhiro Mikami, Masaaki Kawata, 2001 .

Intermolecular interaction potential of the carbon dioxide dimer

S. Tsuzuki, K. Tanabe, M. Mikami, 1998 .

Molecular Dynamics Simulation of Structural Phase Transition of AlPO4 Induced by Pressure

I. Fukuda, M. Mikami, 1996 .

A study of the force between two walls immersed in a Lennard-Jones particle system using a grand canonical Monte Carlo simulation

M. Mikami, Y. Tanabe, T. Nagai, 1999 .

Rigid‐body dynamics in the isothermal‐isobaric ensemble: A test on the accuracy and computational efficiency

Masuhiro Mikami, Wataru Shinoda, W. Shinoda, 2003, J. Comput. Chem..

Energy profile of the interconversion path between T-shape and slipped-parallel benzene dimers

Masuhiro Mikami, Tadafumi Uchimaru, Seiji Tsuzuki, 2002 .

Magnitude and nature of carbohydrate-aromatic interactions: ab initio calculations of fucose-benzene complex.

S. Tsuzuki, M. Mikami, T. Uchimaru, 2009, Journal of Physical Chemistry B.

The interaction of benzene with chloro- and fluoromethanes: Effects of halogenation on CH/π interaction

S. Tsuzuki, K. Tanabe, M. Mikami, 2002 .

The Origin of the Cation/π Interaction: The Significant Importance of the Induction in Li+ and Na+ Complexes

Masuhiro Mikami, Masaru Yoshida, Tadafumi Uchimaru, 2001 .

Magnitude of CH/O interactions between carbohydrate and water

S. Tsuzuki, M. Mikami, T. Uchimaru, 2012, Theoretical Chemistry Accounts.

Magnitude and nature of carbohydrate-aromatic interactions in fucose-phenol and fucose-indole complexes: CCSD(T) level interaction energy calculations.

S. Tsuzuki, M. Mikami, T. Uchimaru, 2011, The journal of physical chemistry. A.

Mechanism of orientational isomerism of unsymmetrical guests in a heterodimeric capsule: analysis by ab initio molecular orbital calculations.

S. Tsuzuki, M. Mikami, T. Uchimaru, 2010, The journal of physical chemistry. B.

Molecular dynamics study of bipolar tetraether lipid membranes.

W. Shinoda, M. Mikami, T. Baba, 2005, Biophysical journal.

Molecular dynamics simulation for the crystal structure of synthetic sugar-based bolaamphiphiles

Tomokazu Matsuzaki, K. Tanabe, M. Mikami, 1999 .

Structural determination of molten NaNO3, NaNO2 and their eutectic mixture by molecular dynamics simulation and X-ray diffraction

A. K. Adya, M. Mikami, R. Takagi, 1987 .

X-ray and neutron diffraction and molecular dynamics simulation of molten lithium and rubidium nitrates

M. Mikami, H. Ohtaki, I. Okada, 1986 .

Comparative molecular dynamics study of ether- and ester-linked phospholipid bilayers.

Masuhiro Mikami, Wataru Shinoda, W. Shinoda, 2004, The Journal of chemical physics.

Basis set effects on the calculated bonding energies of neutral benzene dimers: importance of diffuse polarization functions

Masuhiro Mikami, Kazutoshi Tanabe, Tadafumi Uchimaru, 1996 .

Intermolecular interactions of nitrobenzene-benzene complex and nitrobenzene dimer: significant stabilization of slipped-parallel orientation by dispersion interaction.

S. Tsuzuki, M. Mikami, K. Honda, 2006, The Journal of chemical physics.

Molecular dynamics simulation of an archaeal lipid bilayer with sodium chloride.

W. Shinoda, M. Mikami, K. Shinoda, 2007, Physical chemistry chemical physics : PCCP.

Molecular dynamics simulations of ionic liquids: cation and anion dependence of self-diffusion coefficients of ions.

Masuhiro Mikami, Wataru Shinoda, Seiji Tsuzuki, 2009, The journal of physical chemistry. B.

Molecular dynamics simulation of icosahedral Si quantum dot formation from liquid droplets

W. Shinoda, M. Mikami, T. Morishita, 2005 .

Sound velocity in heat transfer salt (mixture of molten sodium nitrate-potassium nitrate-sodium nitrite, 7/44/49 mol %) studied by an ultrasonic pulse-echo method

M. Mikami, O. Odawara, K. Kawamura, 1981 .

Simulation study of the order formation dynamics in the melt crystallization of flexible chain molecules induced by rigid molecular nuclei

T. Miura, M. Mikami, R. Kishi, 2003 .

Molecular dynamics simulation of supercritical carbon dioxide fluid with the model potential from ab initio molecular orbital calculations

S. Kuwajima, T. Sako, S. Tsuzuki, 1996 .

Is the cation/π interaction in alkaline-earth-metal dication/benzene complexes a covalent interaction?

S. Tsuzuki, M. Mikami, T. Uchimaru, 2003 .

High-level ab initio computations of structures and interaction energies of naphthalene dimers: origin of attraction and its directionality.

Kazumasa Honda, Masuhiro Mikami, Tadafumi Uchimaru, 2004, The Journal of chemical physics.

Tunable electronic transport properties of silicon-fullerene-linked nanowires: Semiconductor, conducting wire, and tunnel diode

T. Ozaki, M. Mikami, T. Morishita, 2010 .

Internal bond rotation in substituted methyl radicals, H2B-CH2, H3C-CH2, H2N-CH2, and HO-CH2: Hardness profiles

S. Tsuzuki, M. Mikami, T. Uchimaru, 2001 .

Computationally efficient method to calculate the Coulomb interactions in three-dimensional systems with two-dimensional periodicity

U. Nagashima, M. Mikami, M. Kawata, 2002 .

Rapid calculation of the Coulomb component of the stress tensor for three-dimensional systems with two-dimensional periodicity

U. Nagashima, M. Mikami, M. Kawata, 2001 .

Rapid calculation of two-dimensional Ewald summation

Masuhiro Mikami, Masaaki Kawata, M. Mikami, 2001 .

Effects of basis set and electron correlation on the calculated interaction energies of hydrogen bonding complexes: MP2/cc-pV5Z calculations of H2O–MeOH,H2O–Me2O,H2O–H2CO, MeOH–MeOH, and HCOOH–HCOOH complexes

Masuhiro Mikami, Kazutoshi Tanabe, Tadafumi Uchimaru, 1999 .

Computational exploration of novel silicon nanostructures

T. Ozaki, W. Shinoda, M. Mikami, 2009, 2009 10th International Conference on Ultimate Integration of Silicon.

Formation of silicon-fullerene-linked nanowires inside carbon nanotubes: A molecular-dynamics and first-principles study

T. Ozaki, M. Mikami, T. Morishita, 2008 .

Electronic and optical properties of polyicosahedral Si nanostructures : A first-principles study

T. Ozaki, W. Shinoda, M. Mikami, 2008 .

Molecular dynamics simulations of self-organized polyicosahedral Si nanowire.

W. Shinoda, M. Mikami, T. Morishita, 2006, The Journal of chemical physics.

Reversible structure transformation in ice nanocluster.

M. Mikami, K. Nishio, 2009, The Journal of chemical physics.

Formation of single-and double-layer silicon in slit pores

M. Mikami, T. Morishita, K. Nishio, 2008 .

Ab Initio Calculations of Intermolecular Interaction of CHF3 Dimer: Origin of Attraction and Magnitude of CH/F Interaction

S. Tsuzuki, S. Urata, M. Mikami, 2003 .

Interactions of perfluoroalkyltrifluoroborate anions with li ion and imidazolium cation: effects of perfluoroalkyl chain on motion of ions in ionic liquids.

H. Matsumoto, S. Tsuzuki, W. Shinoda, 2010, The journal of physical chemistry. B.

First-principles lattice energy calculation of urea and hexamine crystals by a combination of periodic DFT and MP2 two-body interaction energy calculations.

S. Tsuzuki, M. Mikami, K. Honda, 2010, The journal of physical chemistry. B.

Analysis of the intermolecular interactions between CH3OCH3, CF3OCH3, CF3OCF3, and CH2F2, CHF3

Masuhiro Mikami, Akira Takada, Tadafumi Uchimaru, 2004, J. Comput. Chem..

Analysis of the intermolecular interaction between CH3OCH3, CF3OCH3, CF3OCF3, and CH4: High level ab initio calculations

Masuhiro Mikami, Akira Takada, Tadafumi Uchimaru, 2002, J. Comput. Chem..

High Level ab Initio Calculations of Intermolecular Interaction of Propane Dimer: Orientation Dependence of Interaction Energy

Masuhiro Mikami, Kazutoshi Tanabe, Tadafumi Uchimaru, 2002 .

Magnitude and orientation dependence of intermolecular interaction between perfluoroalkanes: High level ab initio calculations of CF4 and C2F6 dimers

Masuhiro Mikami, Tadafumi Uchimaru, Shingo Urata, 2002 .

NEW MEDIUM-SIZE BASIS SETS TO EVALUATE THE DISPERSION INTERACTION OF HYDROCARBON MOLECULES

Masuhiro Mikami, Kazutoshi Tanabe, Tadafumi Uchimaru, 1998 .

Effects of the higher electron correlation correction on the calculated intermolecular interaction energies of benzene and naphthalene dimers: comparison between MP2 and CCSD(T) calculations

Masuhiro Mikami, Kazutoshi Tanabe, Tadafumi Uchimaru, 2000 .

Thermoelectric properties of Sb-doped Heusler Fe2VAl alloy

M. Mikami, S. Tanaka, K. Kobayashi, 2009 .

Development of high-strength Fe2VAl thermoelectric module designed for a motorcycle

K. Kubo, K. Kobayashi, M. Mikami, 2007, 2007 26th International Conference on Thermoelectrics.

Microstructure and thermoelectric properties of pulse-current sintered Fe2 VAl alloy

K. Kobayashi, M. Mikami, A. Matsumoto, 2006, 2006 25th International Conference on Thermoelectrics.

Theoretical Study of Ultraviolet Absorption Spectra of Tetra- and Pentacoordinate Silicon Compounds

N. Koga, Masato Tanaka, M. Mikami, 2000 .

Synthesis, X-ray Structure, and Electronic Properties of Oligosilanes Containing Pentacoordinate Silicon Moieties at Internal Positions

S. Shimada, N. Koga, Masato Tanaka, 1999 .

Response to “Comment on ‘Rapid calculation of the Coulomb component of the stress tensor for three-dimensional systems with two-dimensional periodicity’ ” [J. Chem. Phys. 117, 3524 (2002)]

U. Nagashima, M. Mikami, M. Kawata, 2002 .

Two-dimensional self-assembled structures of adenine molecules: modeling and simulation

S. Tsuzuki, W. Shinoda, M. Mikami, 2004 .

Energetics and structures of small benzene clusters

Y. Kawazoe, K. Ohno, M. Mikami, 1995 .

Molecular dynamics study of crystallization of polymer systems confined in small nanodomains.

T. Miura, M. Mikami, 2007, Physical review. E, Statistical, nonlinear, and soft matter physics.

Surface reconstruction of ultrathin silicon nanosheets

Masuhiro Mikami, Salvy P. Russo, Tetsuya Morishita, 2011 .

First-principles study of structural and electronic properties of ultrathin silicon nanosheets

Masuhiro Mikami, Salvy P. Russo, Tetsuya Morishita, 2010 .

Dynamics of a highly branched lipid bilayer: a molecular dynamics study

W. Shinoda, M. Mikami, M. Hato, 2004 .

Molecular Dynamics Study on the Effects of Chain Branching on the Physical Properties of Lipid Bilayers: 2. Permeability

W. Shinoda, M. Mikami, M. Hato, 2004 .

Fluorination effects on structure and dynamics of phospholipid bilayer : A molecular dynamics study

W. Shinoda, M. Mikami, Hiroaki Saito, 2009 .

Efficient free energy calculation of water across lipid membranes

Masuhiro Mikami, Wataru Shinoda, Keiko Shinoda, 2008, J. Comput. Chem..

Ring closure in dioxin formation process: An ab initio molecular dynamics study

P. Ordejón, K. Tanabe, M. Mikami, 2001 .

The mutual polarization of reactants: Fukui function description of the charge reorganization

S. Tsuzuki, J. Korchowiec, M. Mikami, 1999 .

Extended Ensemble Monte Carlo Method

M. Mikami, 2002 .

On‐the‐fly reconstruction of free‐energy profiles using logarithmic mean‐force dynamics

Masuhiro Mikami, Tetsuya Morishita, Hisashi Okumura, 2013, J. Comput. Chem..