Molecular Motions of Imidazole in Poly(vinylphosphonic acid)-Imidazole Composites Investigated by Molecular Dynamics Simulations

Yuta Hori; Toshiya Suetake; Yasuteru Shigeta; Tomonori Ida; Motohiro Mizuno

doi:10.1246/cl.200635

Molecular Motions of Imidazole in Poly(vinylphosphonic acid)-Imidazole Composites Investigated by Molecular Dynamics Simulations

Chemistry Letters ◽

10.1246/cl.200635 ◽

2021 ◽

Vol 50 (1) ◽

pp. 17-20

Author(s):

Yuta Hori ◽

Toshiya Suetake ◽

Yasuteru Shigeta ◽

Tomonori Ida ◽

Motohiro Mizuno

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Molecular Motions ◽

Vinylphosphonic Acid ◽

Dynamics Simulations

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Insight Derived from Molecular Dynamics Simulations into Molecular Motions, Thermodynamics and Kinetics of HIV-1 gp120

PLoS ONE ◽

10.1371/journal.pone.0104714 ◽

2014 ◽

Vol 9 (8) ◽

pp. e104714 ◽

Cited By ~ 8

Author(s):

Peng Sang ◽

Li-Quan Yang ◽

Xing-Lai Ji ◽

Yun-Xin Fu ◽

Shu-Qun Liu

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Molecular Motions ◽

Thermodynamics And Kinetics ◽

Dynamics Simulations ◽

Kinetics Of ◽

Hiv 1

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Molecular Motions of α-Cyclodextrin on a Dodecyl Chain Studied by Molecular Dynamics Simulations

Chemical and Pharmaceutical Bulletin ◽

10.1248/cpb.54.528 ◽

2006 ◽

Vol 54 (4) ◽

pp. 528-534 ◽

Cited By ~ 3

Author(s):

Seiji Ishikawa ◽

Shun Hirota ◽

Saburo Neya ◽

Noriaki Funasaki

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Molecular Motions ◽

Dynamics Simulations

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Long-Time Molecular Motions and Local Chain Dynamics in n-C44H90 Melts by Molecular Dynamics Simulations

Macromolecules ◽

10.1021/ma00121a028 ◽

1995 ◽

Vol 28 (17) ◽

pp. 5897-5905 ◽

Cited By ~ 26

Author(s):

Grant D. Smith ◽

Do Y. Yoon ◽

Richard L. Jaffe

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Molecular Motions ◽

Chain Dynamics ◽

Long Time ◽

Dynamics Simulations

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Molecular Motions of Hydrogen Bonded CH3CN in the Zeolite Chabazite: Comparison of First-Principles Molecular Dynamics Simulations with Results from1H,2H, and13C NMR

The Journal of Physical Chemistry B ◽

10.1021/jp0028204 ◽

2000 ◽

Vol 104 (49) ◽

pp. 11734-11747 ◽

Cited By ~ 7

Author(s):

B. L. Trout ◽

B. H. Suits ◽

R. J. Gorte ◽

David White

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

First Principles ◽

Molecular Motions ◽

Dynamics Simulations ◽

First Principles Molecular Dynamics ◽

Hydrogen Bonded

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Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations

Molecular Physics ◽

10.1080/00268979709482789 ◽

1997 ◽

Vol 91 (6) ◽

pp. 993-1003 ◽

Cited By ~ 1

Author(s):

ANJALI KHARE ◽

DAVID KOFKE ◽

GLENN EVANS

Keyword(s):

Molecular Dynamics ◽

Kinetic Theory ◽

Molecular Dynamics Simulations ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

Dynamics Simulations

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ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

Molecular Physics ◽

10.1080/002689798167430 ◽

1998 ◽

Vol 95 (1) ◽

pp. 121-121

Author(s):

CARL MCBRIDE MARK R. WILSON JUDITH A. K.

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulations ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases

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Nonequilibrium Molecular Dynamics Simulations of 3-Methylhexane: The Effect of Inter- and Intramolecular Potential Models on Simulated Viscosity

The Journal of Physical Chemistry A ◽

10.1021/jp971476g ◽

1997 ◽

Vol 101 (27) ◽

pp. 5026-5026

Author(s):

Maija Lahtela ◽

Tapani A. Pakkanen ◽

Richard L. Rowley

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Nonequilibrium Molecular Dynamics ◽

Potential Models ◽

Dynamics Simulations

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Assessment of all-atom potentials for modeling membranes: molecular dynamics simulations of solid and liquid alkanes and crystals of phospholipid fragments

Journal de Chimie Physique ◽

10.1051/jcp/1997941482 ◽

1997 ◽

Vol 94 ◽

pp. 1482-1502 ◽

Cited By ~ 27

Author(s):

DJ Tobias ◽

K Tu ◽

ML Klein

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations ◽

Liquid Alkanes

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Molecular Dynamics Simulations of Retrograde Condensation in Nanoporous Shale

Proceedings of the 3rd Unconventional Resources Technology Conference ◽

10.15530/urtec-2015-2172738 ◽

2015 ◽

Cited By ~ 1

Author(s):

William R. Welch ◽

Mohammad Piri

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Retrograde Condensation ◽

Dynamics Simulations

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