Molecular Dynamics Simulation with the Charge Response Kernel:  Vibrational Spectra of Liquid Water andN-Methylacetamide in Aqueous Solution

Satoru Iuchi; Akihiro Morita; Shigeki Kato

doi:10.1021/jp013773y

Molecular Dynamics Simulation with the Charge Response Kernel: Vibrational Spectra of Liquid Water andN-Methylacetamide in Aqueous Solution

The Journal of Physical Chemistry B ◽

10.1021/jp013773y ◽

2002 ◽

Vol 106 (13) ◽

pp. 3466-3476 ◽

Cited By ~ 46

Author(s):

Satoru Iuchi ◽

Akihiro Morita ◽

Shigeki Kato

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Vibrational Spectra ◽

Liquid Water ◽

Dynamics Simulation

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Molecular dynamics simulation of liquid water along the coexistence curve: Hydrogen bonds and vibrational spectra

The Journal of Chemical Physics ◽

10.1063/1.471932 ◽

1996 ◽

Vol 105 (2) ◽

pp. 639-649 ◽

Cited By ~ 187

Author(s):

J. Martí ◽

J. A. Padro ◽

E. Guàrdia

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Hydrogen Bonds ◽

Vibrational Spectra ◽

Liquid Water ◽

Coexistence Curve ◽

Dynamics Simulation

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Molecular Dynamics Simulation and Thermodynamic Modeling of the Self-Assembly of the Triterpenoids Asiatic Acid and Madecassic Acid in Aqueous Solution

The Journal of Physical Chemistry B ◽

10.1021/jp074310g ◽

2008 ◽

Vol 112 (8) ◽

pp. 2357-2371 ◽

Cited By ~ 13

Author(s):

Brian C. Stephenson ◽

Arthur Goldsipe ◽

Daniel Blankschtein

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Thermodynamic Modeling ◽

Self Assembly ◽

The Self ◽

Dynamics Simulation ◽

Asiatic Acid

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Effects of Urea, Tetramethyl Urea, and TrimethylamineN-Oxide on Aqueous Solution Structure and Solvation of Protein Backbones: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp9084926 ◽

2010 ◽

Vol 114 (1) ◽

pp. 557-568 ◽

Cited By ~ 128

Author(s):

Haiyan Wei ◽

Yubo Fan ◽

Yi Qin Gao

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Solution Structure ◽

Dynamics Simulation ◽

Protein Backbones

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An overview of neutron scattering and molecular dynamics simulation studies of phospholipid bilayers in room-temperature ionic liquid/water solutions

Physica B Condensed Matter ◽

10.1016/j.physb.2018.02.043 ◽

2018 ◽

Vol 551 ◽

pp. 227-231 ◽

Cited By ~ 7

Author(s):

Antonio Benedetto ◽

Pietro Ballone

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Neutron Scattering ◽

Liquid Water ◽

Room Temperature ◽

Phospholipid Bilayers ◽

Dynamics Simulation ◽

Simulation Studies ◽

Water Solutions

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Vibrational spectra and anharmonic effects in crystals studied by molecular dynamics simulation

10.1063/1.4772130 ◽

2012 ◽

Cited By ~ 1

Author(s):

E. B. Dolgusheva ◽

V. Yu. Trubitsin

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Vibrational Spectra ◽

Dynamics Simulation ◽

Anharmonic Effects

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Investigation of a poly(oxyethylene) chain by a molecular dynamics simulation in an aqueous solution and by Langevin dynamics simulations

Molecular Physics ◽

10.1080/00268979100102531 ◽

1991 ◽

Vol 74 (4) ◽

pp. 715-733 ◽

Cited By ~ 20

Author(s):

M. Depner ◽

B.L. Schürmann ◽

F. Auriemma

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Langevin Dynamics ◽

Dynamics Simulation ◽

Dynamics Simulations

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Molecular dynamics simulation of liquid water between two walls

Chemical Physics Letters ◽

10.1016/0009-2614(83)85021-0 ◽

1983 ◽

Vol 97 (2) ◽

pp. 224-230 ◽

Cited By ~ 71

Author(s):

Michele Marchesi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Liquid Water ◽

Dynamics Simulation

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Molecular Dynamics Simulation of Parvalbumin in Aqueous Solution

Structure, Dynamics and Function of Biomolecules - Springer Series in Biophysics ◽

10.1007/978-3-642-71705-5_17 ◽

1987 ◽

pp. 75-81

Author(s):

Peter Ahlström ◽

Olle Teleman ◽

Bo Jönsson ◽

Sture Forsén

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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Molecular dynamics simulation of homogeneous nucleation of supersaturated potassium chloride (KCl) in aqueous solutions

CrystEngComm ◽

10.1039/c9ce01084j ◽

2019 ◽

Vol 21 (48) ◽

pp. 7507-7518 ◽

Cited By ~ 1

Author(s):

Soroush Ahmadi ◽

Yuanyi Wu ◽

Sohrab Rohani

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Aqueous Solutions ◽

Potassium Chloride ◽

Homogeneous Nucleation ◽

Md Simulation ◽

Crystal Nucleation ◽

Dynamics Simulation

Molecular dynamics (MD) simulation is used to investigate the mechanism of crystal nucleation of potassium chloride (KCl) in a supersaturated aqueous solution at 293 K and 1 atm.

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Adsorption of uranyl ions from its aqueous solution by functionalized carbon nanotubes: A molecular dynamics simulation study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2019.111569 ◽

2019 ◽

Vol 294 ◽

pp. 111569 ◽

Cited By ~ 2

Author(s):

Manish Chopra ◽

Niharendu Choudhury

Keyword(s):

Carbon Nanotubes ◽

Molecular Dynamics ◽

Aqueous Solution ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Uranyl Ions ◽

Functionalized Carbon Nanotubes

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