Takeshi Yamamoto

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, Sep, 2010 Peer-reviewed

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), Jan, 2010 Peer-reviewed

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), Jan, 2010 Peer-reviewed

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), Dec, 2008 Peer-reviewed

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

Takeshi Yamamoto

Journal of Chemical Physics, Jan 1, 2008 Peer-reviewed

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), Jun, 2007 Peer-reviewed

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

T Yamamoto

JOURNAL OF CHEMICAL PHYSICS, 124(21), Jun, 2006 Peer-reviewed

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

T Yamamoto

JOURNAL OF CHEMICAL PHYSICS, 124(14), Apr, 2006 Peer-reviewed

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), Feb, 2006 Peer-reviewed

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 Peer-reviewed

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