山本武志 (Takeshi Yamamoto) - マイポータル

Kim F. Wong, Jason L. Sonnenberg, Francesco Paesani, Takeshi Yamamoto, Jiff Vanicek, Wei Zhang, H. Bernhard Schlegel, David A. Case, Thomas E. Cheatham, William H. Miller …

JOURNAL OF CHEMICAL THEORY AND COMPUTATION 6(9) 2566-2580 2010年9月査読有り

A wave-function based approach for polarizable charge model: Systematic comparison of polarization effects on protic, aprotic, and ionic liquids

Hiroshi Nakano, Takeshi Yamamoto, Shigeki Kato

JOURNAL OF CHEMICAL PHYSICS 132(4) 2010年1月査読有り

A wave-function based approach for polarizable charge model: Systematic comparison of polarization effects on protic, aprotic, and ionic liquids

Hiroshi Nakano, Takeshi Yamamoto, Shigeki Kato

JOURNAL OF CHEMICAL PHYSICS 132(4) 2010年1月査読有り

Variational and perturbative formulations of quantum mechanical/molecular mechanical free energy with mean-field embedding and its analytical gradients

Takeshi Yamamoto

JOURNAL OF CHEMICAL PHYSICS 129(24) 2008年12月査読有り

Variational and perturbative formulation of QM/MM free energy with mean field embedding

Takeshi Yamamoto

Journal of Chemical Physics 2008年1月1日査読有り

Ab initio calculation of proton-coupled electron transfer rates using the external-potential representation: A ubiquinol complex in solution

Takeshi Yamamoto, Shigeki Kato

JOURNAL OF CHEMICAL PHYSICS 126(22) 2007年6月査読有り

Comment on "comment on Simple reversible molecular dynamics algorithms for Noś-Hoover chain dynamics\\' " [J. Chem. Phys. 110, 3623 (1999)]

T. Yamamoto

Journal of Chemical Physics 124(21) 2006年6月査読有り

Connection between the direct and mapping forms of a factorized classical propagator

T Yamamoto

JOURNAL OF CHEMICAL PHYSICS 124(14) 2006年4月査読有り

Path-integral virial estimator for reaction-rate calculation based on the quantum instanton approximation

S Yang, T Yamamoto, WH Miller

JOURNAL OF CHEMICAL PHYSICS 124(8) 2006年2月査読有り

Path-integral virial estimator based on the scaling of fluctuation coordinates: Application to quantum clusters with fourth-order propagators

T.M. Yamamoto

Journal of Chemical Physics 123(10) 2005年査読有り

山本武志

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