Masuhiro Mikami

Overview

Best Publications

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

  Wataru Shinoda;Motoyuki Shiga;Masuhiro Mikami

  1370
  Citations

• Origin of Attraction and Directionality of the π/π Interaction: Model Chemistry Calculations of Benzene Dimer Interaction

  Seiji Tsuzuki;Kazumasa Honda;Tadafumi Uchimaru;Masuhiro Mikami

  1346
  Citations

• 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

  Seiji Tsuzuki;Tadafumi Uchimaru;Kazunari Matsumura;Masuhiro Mikami

  337
  Citations

• Molecular Dynamics Simulations of Ionic Liquids: Cation and Anion Dependence of Self-Diffusion Coefficients of Ions

  Seiji Tsuzuki;Wataru Shinoda;Hiroaki Saito;Masuhiro Mikami

  298
  Citations

• Replica-exchange Monte Carlo method for the isobaric isothermal ensemble

  Tsuneyasu Okabe;Masaaki Kawata;Yuko Okamoto;Masuhiro Mikami

  287
  Citations

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

  Seiji Tsuzuki;Masaru Yoshida;Tadafumi Uchimaru;Masuhiro Mikami

  285
  Citations

• Theoretical analysis of the hydrogen bond of imidazolium C2–H with anions

  Seiji Tsuzuki;Hiroyuki Tokuda;Masuhiro Mikami

  249
  Citations

• Molecular dynamics simulation of swollen membrane of perfluorinated ionomer.

  Shingo Urata;Jun Irisawa;Akira Takada;Wataru Shinoda

  248
  Citations

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

  Seiji Tsuzuki;Kazumasa Honda;Tadafumi Uchimaru;Masuhiro Mikami

  223
  Citations

• Intermolecular Interaction between Hexafluorobenzene and Benzene: Ab Initio Calculations Including CCSD(T) Level Electron Correlation Correction

  Seiji Tsuzuki;Tadafumi Uchimaru;Masuhiro Mikami

  181
  Citations

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

  Seiji Tsuzuki;Masuhiro Mikami;Shinji Yamada

  181
  Citations

• 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

  Seiji Tsuzuki;Tadafumi Uchimaru;Kazunari Matsumura;Masuhiro Mikami

  169
  Citations

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

  Wataru Shinoda;Masuhiro Mikami;Teruhiko Baba;Masakatsu Hato

  166
  Citations

• Magnitude and Directionality of the Interaction Energy of the Aliphatic CH/π Interaction: Significant Difference from Hydrogen Bond

  Seiji Tsuzuki;Kazumasa Honda;Tadafumi Uchimaru;Masuhiro Mikami

  150
  Citations

• 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

  Seiji Tsuzuki;Kazumasa Honda;Tadafumi Uchimaru;Masuhiro Mikami

  144
  Citations

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

  Seiji Tsuzuki;Tadafumi Uchimaru;Kazunari Matsumura;Masuhiro Mikami

  141
  Citations

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

  Seiji Tsuzuki;Kazumasa Honda;Tadafumi Uchimaru;Masuhiro Mikami

  140
  Citations

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

  Seiji Tsuzuki;Kazumasa Honda;Tadafumi Uchimaru;Masuhiro Mikami

  138
  Citations

• Rigid-Body Dynamics in the Isothermal-Isobaric Ensemble: A Test on the Accuracy and Computational Efficiency

  Wataru Shinoda;Masuhiro Mikami

  135
  Citations

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

  Seiji Tsuzuki;Tadafumi Uchimaru;Masuhiro Mikami;Kazutoshi Tanabe

  126
  Citations

• High-Level ab Initio Calculations of Interaction Energies of C2H4−CH4 and C2H6−CH4 Dimers: A Model Study of CH/π Interaction

  Seiji Tsuzuki;Kazumasa Honda;Tadafumi Uchimaru;Masuhiro Mikami

  120
  Citations