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Shinichi Miura
Shinichi Miura
Faculty of Mathematics and Physics, Kanazawa University
Bestätigte E-Mail-Adresse bei mail.kanazawa-u.ac.jp - Startseite
Titel
Zitiert von
Zitiert von
Jahr
An ab initio path integral molecular dynamics study of double proton transfer in the formic acid dimer
S Miura, ME Tuckerman, ML Klein
The Journal of chemical physics 109 (13), 5290-5299, 1998
1341998
A unified scheme for ab initio molecular orbital theory and path integral molecular dynamics
M Shiga, M Tachikawa, S Miura
The Journal of Chemical Physics 115 (20), 9149-9159, 2001
1232001
A molecular dynamics study of sub-and supercritical water using a polarizable potential model
N Yoshii, H Yoshie, S Miura, S Okazaki
The Journal of chemical physics 109 (12), 4873-4884, 1998
1091998
A molecular dynamics study of dielectric constant of water from ambient to sub-and supercritical conditions using a fluctuating-charge potential model
N Yoshii, S Miura, S Okazaki
Chemical physics letters 345 (1-2), 195-200, 2001
872001
Ab initio molecular orbital calculation considering the quantum mechanical effect of nuclei by path integral molecular dynamics
M Shiga, M Tachikawa, S Miura
Chemical Physics Letters 332 (3-4), 396-402, 2000
782000
A path integral centroid molecular dynamics study of nonsuperfluid liquid helium-4
S Miura, S Okazaki, K Kinugawa
The Journal of chemical physics 110 (9), 4523-4532, 1999
631999
Molecular theory for the nonequilibrium free energy profile in electron transfer reaction
SH Chong, S Miura, G Basu, F Hirata
The Journal of Physical Chemistry 99 (26), 10526-10529, 1995
451995
Path integral molecular dynamics for Bose–Einstein and Fermi–Dirac statistics
S Miura, S Okazaki
The Journal of Chemical Physics 112 (23), 10116-10124, 2000
412000
Path integral hybrid Monte Carlo algorithm for correlated Bose fluids
S Miura, J Tanaka
The Journal of chemical physics 120 (5), 2160-2168, 2004
342004
Temperature dependence of the stability of a hydrated electron: an integral equation study
S Miura, F Hirata
The Journal of Physical Chemistry 98 (38), 9649-9656, 1994
341994
Rotational fluctuation of molecules in quantum clusters. II. Molecular rotation and superfluidity in OCS-doped helium-4 clusters
S Miura
The Journal of chemical physics 126 (11), 114309, 2007
312007
A molecular-dynamics study of the equation of state of water using a fluctuating-charge model
N Yoshii, R Miyauchi, S Miura, S Okazaki
Chemical Physics Letters 317 (3-5), 414-420, 2000
312000
Rotational fluctuation of molecules in quantum clusters. I. Path integral hybrid Monte Carlo algorithm
S Miura
The Journal of chemical physics 126 (11), 114308, 2007
262007
Supercritical Fluid Technology Supercritical Fluid Technology, 1992
N Yoshii, S Miura, S Okazaki
Bulletin of the Chemical Society of Japan 72 (2), 151-162, 1999
261999
Molecular dynamics algorithms for quantum Monte Carlo methods
S Miura
Chemical Physics Letters 482 (1-3), 165-170, 2009
252009
A variational path integral molecular dynamics study of a solid helium-4
S Miura
Computer Physics Communications 182 (1), 274-276, 2011
182011
Efficient algorithms for semiclassical instanton calculations based on discretized path integrals
T Kawatsu, S Miura
The Journal of Chemical Physics 141 (2), 024101, 2014
172014
Quantum rotation of carbonyl sulfide molecules in superfluid helium clusters: a path integral hybrid Monte Carlo study
S Miura
Journal of Physics: Condensed Matter 17 (45), S3259, 2005
172005
Anomalous acoustic dynamics in liquid water: the origin of the low frequency mode
S Miura
Molecular Physics 87 (6), 1405-1421, 1996
161996
A large-scale molecular dynamics study of dynamic structure factor and dispersion relation of acoustic mode in liquid and supercritical water
T Komatsu, N Yoshii, S Miura, S Okazaki
Fluid phase equilibria 226, 345-350, 2004
152004
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