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Refinado por: idioma: Japonês remover assunto: Physics remover Nome da Publicação: The Journal Of Chemical Physics remover
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1
Learning reaction coordinates via cross-entropy minimization: Application to alanine dipeptide
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Learning reaction coordinates via cross-entropy minimization: Application to alanine dipeptide

Mori, Yusuke ; Okazaki, Kei-ichi ; Mori, Toshifumi ; Kim, Kang ; Matubayasi, Nobuyuki

The Journal of chemical physics, 2020-08, Vol.153 (5), p.054115-054115 [Periódico revisado por pares]

United States: American Institute of Physics

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2
Transition path sampling of rare events by shooting from the top
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Transition path sampling of rare events by shooting from the top

Jung, Hendrik ; Okazaki, Kei-ichi ; Hummer, Gerhard

The Journal of chemical physics, 2017-10, Vol.147 (15), p.152716-152716 [Periódico revisado por pares]

United States: American Institute of Physics

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3
All-atom molecular dynamics study on the non-solvent induced phase separation: Thermodynamics of adding water to poly(vinylidene fluoride)/N-methyl-2-pyrrolidone solution
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All-atom molecular dynamics study on the non-solvent induced phase separation: Thermodynamics of adding water to poly(vinylidene fluoride)/N-methyl-2-pyrrolidone solution

Taddese, Tseden ; Kitabata, Masahiro ; Okazaki, Susumu

The Journal of chemical physics, 2019-05, Vol.150 (18), p.184505-184505 [Periódico revisado por pares]

United States: American Institute of Physics

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4
Molecular dynamics study of thermodynamic stability and dynamics of [Li(glyme)]+ complex in lithium-glyme solvate ionic liquids
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Molecular dynamics study of thermodynamic stability and dynamics of [Li(glyme)]+ complex in lithium-glyme solvate ionic liquids

Shinoda, Wataru ; Hatanaka, Yuta ; Hirakawa, Masashi ; Okazaki, Susumu ; Tsuzuki, Seiji ; Ueno, Kazuhide ; Watanabe, Masayoshi

The Journal of chemical physics, 2018-05, Vol.148 (19), p.193809-193809 [Periódico revisado por pares]

United States: American Institute of Physics

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5
All-atom molecular dynamics calculation study of entire poliovirus empty capsids in solution
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All-atom molecular dynamics calculation study of entire poliovirus empty capsids in solution

Andoh, Y ; Yoshii, N ; Yamada, A ; Fujimoto, K ; Kojima, H ; Mizutani, K ; Nakagawa, A ; Nomoto, A ; Okazaki, S

The Journal of chemical physics, 2014-10, Vol.141 (16), p.165101-165101 [Periódico revisado por pares]

United States: American Institute of Physics

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6
All-atom molecular dynamics study of hepatitis B virus containing pregenome RNA in solution
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All-atom molecular dynamics study of hepatitis B virus containing pregenome RNA in solution

Fujimoto, Kazushi ; Yamaguchi, Youhei ; Urano, Ryo ; Shinoda, Wataru ; Ishikawa, Tetsuya ; Omagari, Katsumi ; Tanaka, Yasuhito ; Nakagawa, Atsushi ; Okazaki, Susumu

The Journal of chemical physics, 2021-10, Vol.155 (14), p.145101-145101 [Periódico revisado por pares]

United States: American Institute of Physics

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7
Changes in electronic structure of carbon supports for Pt catalysts induced by vacancy formation due to Ar+ irradiation
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Changes in electronic structure of carbon supports for Pt catalysts induced by vacancy formation due to Ar+ irradiation

Okazaki, Hiroyuki ; Kakitani, Kenta ; Kimata, Tetsuya ; Idesaki, Akira ; Koshikawa, Hiroshi ; Matsumura, Daiju ; Yamamoto, Shunya ; Yamaki, Tetsuya

The Journal of chemical physics, 2020-03, Vol.152 (12), p.124708-124708 [Periódico revisado por pares]

United States: American Institute of Physics

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8
A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solutions based upon mixed quantum-classical approximation. I. Proton transfer reaction in water
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A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solutions based upon mixed quantum-classical approximation. I. Proton transfer reaction in water

Yamada, Atsushi ; Kojima, Hidekazu ; Okazaki, Susumu

The Journal of chemical physics, 2014-08, Vol.141 (8), p.084509-084509 [Periódico revisado por pares]

United States: American Institute of Physics

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9
A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solution based upon a mixed quantum-classical approximation. II. Proton transfer reaction in non-polar solvent
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A molecular dynamics study of intramolecular proton transfer reaction of malonaldehyde in solution based upon a mixed quantum-classical approximation. II. Proton transfer reaction in non-polar solvent

Kojima, H ; Yamada, A ; Okazaki, S

The Journal of chemical physics, 2015-05, Vol.142 (17), p.174502-174502 [Periódico revisado por pares]

United States: American Institute of Physics

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10
Molecular dynamics study of the potential of mean force of SDS aggregates
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Molecular dynamics study of the potential of mean force of SDS aggregates

Kawada, Shinji ; Fujimoto, Kazushi ; Yoshii, Noriyuki ; Okazaki, Susumu

The Journal of chemical physics, 2017-08, Vol.147 (8), p.084903-084903 [Periódico revisado por pares]

United States: American Institute of Physics

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