Masanori Tachikawa

发表

Positron–electron correlation‐polarization potential model for positron binding in polyatomic molecules

Yutaro Sugiura, Haruya Suzuki, Takuma Otomo, 2020, J. Comput. Chem..

Inverse Ubbelohde effect in the short hydrogen bond of photosystem II: Relation between H/D isotope effect and symmetry in potential energy profile

Masanori Tachikawa, Yu Takano, Yusuke Kanematsu, 2016, J. Comput. Chem..

Why is N···Be distance of NH3H+···DBeH shorter than that of NH3D+···HBeH? paradoxical geometrical isotope effects for partially isotope‐substituted dihydrogen‐bonded isotopomers

Masanori Tachikawa, Taro Udagawa, M. Tachikawa, 2014, J. Comput. Chem..

A multicomponent QM study of H2 dissociation on small aluminum cluster

Masanori Tachikawa, Kimichi Suzuki, Taro Udagawa, 2017, ICCS.

H/D isotope effect on charge‐inverted hydrogen‐bonded systems: Systematic classification of three different types in H3XH…YH3 (X = C, Si, or Ge, and Y = B, Al, or Ga) with multicomponent calculation

Masanori Tachikawa, Taro Udagawa, M. Tachikawa, 2015, J. Comput. Chem..

Theoretical study of the reversible photoconversion mechanism in Dronpa

Umpei Nagashima, Masanori Tachikawa, Jun Koseki, 2011, ICCS.

Reduction of OH vibrational frequencies in amino acids by positron attachment

Kento Suzuki, Yutaro Sugiura, Toshiyuki Takayanagi, 2018, J. Comput. Chem..

Nuclear quantum effect and temperature dependency on the hydrogen‐bonded structure of base pairs

Yukio Kawashima, Masanori Tachikawa, Masashi Daido, 2013, J. Comput. Chem..

A path integral molecular dynamics study on intermolecular hydrogen bond of acetic acid–arsenic acid anion and acetic acid–phosphoric acid anion clusters

Yukio Kawashima, Takahito Nakajima, Masanori Tachikawa, 2018, J. Comput. Chem..

Analytical optimization of orbital exponents in Gaussian-type functions for molecular systems based on MCSCF and MP2 levels of fully variational molecular orbital method

Masanori Tachikawa, Takayoshi Ishimoto, Takayoshi Ishimoto, 2011 .

H∕D isotope effect on the dihydrogen bond of NH4+⋯BeH2 by ab initio path integral molecular dynamics simulation

Masanori Tachikawa, Motoyuki Shiga, M. Shiga, 2006 .

Simultaneous optimization of GTF exponents and their centers with fully variational treatment of Hartree-Fock molecular orbital calculation

Masanori Tachikawa, Kento Taneda, M. Tachikawa, 1999 .

Simultaneous optimization of exponents, centers of Gaussian-type basis functions, and geometry with full-configuration interaction wave function: Application to the ground and excited states of hydrogen molecule

Masanori Tachikawa, Y. Osamura, M. Tachikawa, 2000 .

Geometric isotope effect of various intermolecular and intramolecular C-H...O hydrogen bonds, using the multicomponent molecular orbital method.

Hiroaki Tokiwa, Umpei Nagashima, Masanori Tachikawa, 2006, The journal of physical chemistry. A.

Review of multicomponent molecular orbital method for direct treatment of nuclear quantum effect

Umpei Nagashima, Masanori Tachikawa, Takayoshi Ishimoto, 2009 .