論文 - 長岡 正隆
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Internal Temperature Concept for Fast Transient Dynamics of Chemical Species in Solution 査読有り
M.Nagaoka, T.Okamoto,Y.Maruyama,
International Journal of Quantum Chemistry 80 巻 ( 2 ) 頁: 117-124 2000年10月
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*Structure Optimization via Free Energy Grandient Method: Application to Glycine Zwitterion in Aqueous Solution 査読有り
N.Okuyama-Yoshida, K.Kataoka, M.Nagaoka, T.Yamabe,
Jounal of Chemical Physics 113 巻 ( 9 ) 頁: 3519-3524 2000年9月
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Internal Heat Flux and Entropy Production Rate for Chemically Reacting System in Solution 査読有り
M.Nagaoka
Progress of theoretical physics supplement 138 巻 頁: 588-589 2000年
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Slippage of Initial Conditions for the Redfield Master Equation 査読有り
P.Gaspard,M.Nagaoka
Journal of Chemical Physics 111 巻 ( 13 ) 頁: 5668-5675 1999年10月
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Non-Markovian Stochastic Schodinger Equation 査読有り
P.Gaspard,M.Nagaoka
Journal of Chemical Physics 111 巻 ( 13 ) 頁: 5676-5690 1999年10月
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Characteristics of Numerical Realization via Stochastic Partial Differential Equation: An Application to Density Matrix Calculation 査読有り
Y.Saito,M.Nagaoka
International Journal of Quantum Chemistry 74 巻 ( 6 ) 頁: 653-660 1999年9月
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Product Energy Distribution of Molecular Hydrogen Formed on Icy Mantles of Interstellar Dust 査読有り
J.Takahashi,K.Masuda, M.Nagaoka
Astro Physical Journal 520 巻 ( 2 ) 頁: 724-731 1999年8月
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The Formation Mechanism of Molecular Hydrogen on Icy Mantles of Interstellar Dust 査読有り
J.Takahashi, K.Masuda, M.Nagaoka
Monthly Notices Of The Royal Astronomical Society 306 巻 ( 1 ) 頁: 20-30 1999年6月
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Kinetic Lattice Model for Long-Time Chemical Phenomena: Crystallization Dynamics of Optical Isomers in Solution 査読有り
M.Nagaoka, K.Suenobu, T.Yamabe
AIP Conference Proceedings (Slow Dynamics in Complex Systems) 469 巻 頁: 297-298 1999年4月
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The Faster Conversion of Ethene Thiol than Vinyl Alcohol in Tautomerization Reactions in Aqueous Solution --- Theoretical Prediction --- 査読有り
K.Suenobu, M.Nagaoka, T.Yamabe
Journal of Molecular Structure (THEOCHEM) 461-462 巻 ( - ) 頁: 581-588 1999年4月
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Inertia Ratchets:A Numerical Study Versus Theory 査読有り
B.Lindner, L..Schimansky-Geier, P.Reimann, P.Hanggi,M.Nagaoka
Physical Review E 59 巻 ( 2 ) 頁: 1417-1424 1999年2月
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Kinetic Lattice Model for Long-Time Chemical Phenomena: Introduction of Time-Scale into Monte Carlo Simulation 査読有り
M.Nagaoka,K.Suenobu, T.Yamabe
Molecular Simulation 21 巻 ( 5-6 ) 頁: 343-355 1999年
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*Transition-State Optimization on Free Energy Surfaces: Toward Solution Chemical Reaction Ergodography 査読有り
N.Okuyama-Yoshida, M.Nagaoka,T.Yamabe
International Journal of Quantum Chemistry 70 巻 ( 1 ) 頁: 95-103 1998年10月
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Quantum Mechanical Treatment for the Diffusion Process of a Hydrogen Atom on the Amorphous Water Ice Surface 査読有り
J.Takahashi,M.Nagaoka, K.Masuda
International Journal of Quantum Chemistry 70 巻 ( 2 ) 頁: 379-385 1998年10月
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Origin of the Transition State on the Free Energy Surface: Intramolecular Proton Transfer Reaction of Glycine in Aqueous Solution
M.Nagaoka, N.Okuyama-Yoshida, T.Yamabe
Yhe Jounal of Physical Chemistry A 102 巻 ( 42 ) 頁: 8202-8208 1998年10月
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Ab Initio Molecular Orbital Study on Molecular and Hydration Structures of Ectoine 査読有り
K.Suenobu,M.Nagaoka, T.Yamabe,S.Nagata
The Journal of Physical Chemistry A 102 巻 ( 38 ) 頁: 7505-7511 1998年9月
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Lithium Diffusion in LixCoO2 Electrode Materials 査読有り
G.Nuspl, M.Nagaoka, K.Yoshizawa, F.Mohri, T.Yamabe,
Bulletin of the Chemical Society of Japan 71 巻 ( 9 ) 頁: 2259-2265 1998年9月
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Potential Energy Function for Intramolecular Proton Transfer Reaction of Glycine in Aqueous Solution 査読有り
N.Okuyama-Yoshida, M.Nagaoka, T.Yamabe
The Journal of Physical Chemistry A 102 巻 ( 1 ) 頁: 285-292 1998年1月
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Statistical-Mechanical Understanding of Chemical-Reaction Mechanism in Solution: Energy Fluctuation and Heat Capacities for Isomerization of Formamidine in Aqueous Solution 査読有り
M.Nagaoka,Y.Okuno, T.Yamabe
International Journal of Quantum Chemistry 70 巻 ( 1 ) 頁: 133-145 1998年
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On the Hydronium ion Catalyzed Mechanism in Vinyl Alcohol-Acetaldehyde Isomerization: Ab Initio Molecular Orbital Theory and Monte Carlo Simulation
M.Nagaoka,K.Suenobu, T.Yamabe
Journal of The American Chemical Society 119 巻 ( 34 ) 頁: 8023-8030 1997年8月