Estimation of the Binding Strengths of the Ketone Groups of Vinyl Pyrrolidone Analogs to the Surrounding Solvent Based on Molecular Dynamics Simulations

Ryo Nagumo; Kenta Yamamoto; Shuichi Iwata; Hideki Mori

doi:10.1252/jcej.18we091

Estimation of the Binding Strengths of the Ketone Groups of Vinyl Pyrrolidone Analogs to the Surrounding Solvent Based on Molecular Dynamics Simulations

JOURNAL OF CHEMICAL ENGINEERING OF JAPAN ◽

10.1252/jcej.18we091 ◽

2019 ◽

Vol 52 (1) ◽

pp. 1-7

Author(s):

Ryo Nagumo ◽

Kenta Yamamoto ◽

Shuichi Iwata ◽

Hideki Mori

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Vinyl Pyrrolidone ◽

Dynamics Simulations

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Molecular dynamics simulations on the blends of poly(vinyl pyrrolidone) and poly(bisphenol-A-ether sulfone)

Journal of Applied Polymer Science ◽

10.1002/app.28005 ◽

2008 ◽

Vol 108 (6) ◽

pp. 3572-3576 ◽

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S. K. Nataraj ◽

A. V. Raghu ◽

T. M. Aminabhavi

Keyword(s):

Molecular Dynamics ◽

Bisphenol A ◽

Molecular Dynamics Simulations ◽

Vinyl Pyrrolidone ◽

Poly Vinyl Pyrrolidone ◽

Dynamics Simulations

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Study of the structure and dynamics of poly(vinyl pyrrolidone) by molecular dynamics simulations validated by quasielastic neutron scattering and x-ray diffraction experiments

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Vol 134 (5) ◽

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Bernhard Frick

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Vinyl Pyrrolidone ◽

X Ray Diffraction ◽

X Ray ◽

Structure And Dynamics ◽

Quasielastic Neutron ◽

Quasielastic Neutron Scattering ◽

Poly Vinyl Pyrrolidone ◽

Dynamics Simulations

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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 ◽

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pp. 993-1003 ◽

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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 ◽

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pp. 121-121

Author(s):

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Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulations ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases

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The Journal of Physical Chemistry A ◽

10.1021/jp971476g ◽

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Vol 101 (27) ◽

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Author(s):

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Tapani A. Pakkanen ◽

Richard L. Rowley

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Nonequilibrium Molecular Dynamics ◽

Potential Models ◽

Dynamics Simulations

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Journal de Chimie Physique ◽

10.1051/jcp/1997941482 ◽

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Dynamics Simulations ◽

Liquid Alkanes

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Proceedings of the 3rd Unconventional Resources Technology Conference ◽

10.15530/urtec-2015-2172738 ◽

2015 ◽

Cited By ~ 1

Author(s):

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Mohammad Piri

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Retrograde Condensation ◽

Dynamics Simulations

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Atomization and Sprays ◽

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Vol 21 (4) ◽

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Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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10.1615/atomizspr.v11.i4.40 ◽

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Lyle N. Long

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations

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