Molecular dynamics simulation of dielectric properties of water

Jon Anderson; John J. Ullo; Sidney Yip

doi:10.1063/1.453239

Molecular dynamics simulation of dielectric properties of water

The Journal of Chemical Physics ◽

10.1063/1.453239 ◽

1987 ◽

Vol 87 (3) ◽

pp. 1726-1732 ◽

Cited By ~ 147

Author(s):

Jon Anderson ◽

John J. Ullo ◽

Sidney Yip

Keyword(s):

Molecular Dynamics ◽

Dielectric Properties ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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Dielectric Properties ofN,N-Dimethylformamide Aqueous Solutions in External Electromagnetic Fields by Molecular Dynamics Simulation

The Journal of Physical Chemistry A ◽

10.1021/jp909802c ◽

2010 ◽

Vol 114 (2) ◽

pp. 1185-1190 ◽

Cited By ~ 17

Author(s):

LiJun Yang ◽

KaMa Huang ◽

XiaoQing Yang

Keyword(s):

Molecular Dynamics ◽

Dielectric Properties ◽

Molecular Dynamics Simulation ◽

Aqueous Solutions ◽

Electromagnetic Fields ◽

Dynamics Simulation ◽

External Electromagnetic Fields

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Prediction of Optical and Dielectric Properties of 4-Cyano-4-pentylbiphenyl Liquid Crystals by Molecular Dynamics Simulation, Coarse-Grained Dynamics Simulation, and Density Functional Theory Calculation

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.5b12222 ◽

2016 ◽

Vol 120 (26) ◽

pp. 14277-14288 ◽

Cited By ~ 7

Author(s):

Shin-Pon Ju ◽

Sheng-Chieh Huang ◽

Ken-Huang Lin ◽

Hsing-Yin Chen ◽

Ting-Kai Shen

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Dielectric Properties ◽

Molecular Dynamics Simulation ◽

Density Functional ◽

Density Functional Theory Calculation ◽

Dynamics Simulation ◽

Coarse Grained ◽

Functional Theory ◽

Theory Calculation

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On the composition dependence of thermodynamic, dynamic and dielectric properties of water-dimethyl sulfoxide model mixtures. NPT molecular dynamics simulation results

Journal of Molecular Liquids ◽

10.1016/j.molliq.2016.09.024 ◽

2017 ◽

Vol 228 ◽

pp. 71-80 ◽

Cited By ~ 9

Author(s):

Jure Gujt ◽

Ernesto Cázares Vargas ◽

Laszlo Pusztai ◽

Orest Pizio

Keyword(s):

Molecular Dynamics ◽

Dielectric Properties ◽

Molecular Dynamics Simulation ◽

Dimethyl Sulfoxide ◽

Composition Dependence ◽

Dynamics Simulation ◽

Simulation Results

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Longitudinal dielectric properties of molecular liquids: Molecular dynamics simulation studies of CH3CN, C6H6, and CO2

The Journal of Chemical Physics ◽

10.1063/1.478542 ◽

1999 ◽

Vol 110 (13) ◽

pp. 6389-6405 ◽

Cited By ~ 25

Author(s):

Baw-Ching Perng ◽

Branka M. Ladanyi

Keyword(s):

Molecular Dynamics ◽

Dielectric Properties ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Simulation Studies ◽

Molecular Liquids

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Composition dependence of thermodynamic, dynamic and dielectric properties of water–methanol model mixtures. Molecular dynamics simulation results with the OPLS-AA model for methanol

Journal of Molecular Liquids ◽

10.1016/j.molliq.2015.08.061 ◽

2015 ◽

Vol 212 ◽

pp. 70-78 ◽

Cited By ~ 15

Author(s):

Edgar Galicia-Andrés ◽

Hector Dominguez ◽

László Pusztai ◽

Orest Pizio

Keyword(s):

Molecular Dynamics ◽

Dielectric Properties ◽

Molecular Dynamics Simulation ◽

Composition Dependence ◽

Dynamics Simulation ◽

Simulation Results

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Dielectric properties of pyridine derivative-water clusters: Molecular dynamics simulation

Journal of Molecular Liquids ◽

10.1016/j.molliq.2017.06.105 ◽

2017 ◽

Vol 241 ◽

pp. 984-991 ◽

Cited By ~ 3

Author(s):

Jianchuan Liu ◽

Guozhu Jia ◽

Zhou Lu

Keyword(s):

Molecular Dynamics ◽

Dielectric Properties ◽

Molecular Dynamics Simulation ◽

Water Clusters ◽

Dynamics Simulation ◽

Pyridine Derivative

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Dielectric Properties of Organic Solvents from Non-Polarizable Molecular Dynamics Simulation with Electronic Continuum Model and Density Functional Theory

The Journal of Physical Chemistry B ◽

10.1021/jp207658m ◽

2011 ◽

Vol 115 (43) ◽

pp. 12571-12576 ◽

Cited By ~ 10

Author(s):

Sanghun Lee ◽

Sung Soo Park

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Dielectric Properties ◽

Molecular Dynamics Simulation ◽

Organic Solvents ◽

Continuum Model ◽

Density Functional ◽

Dynamics Simulation ◽

Functional Theory

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Spectroscopic and dielectric properties of liquid water: A molecular dynamics simulation study

The Journal of Chemical Physics ◽

10.1063/1.477102 ◽

1998 ◽

Vol 109 (12) ◽

pp. 4911-4919 ◽

Cited By ~ 45

Author(s):

Badry D. Bursulaya ◽

Hyung J. Kim

Keyword(s):

Molecular Dynamics ◽

Dielectric Properties ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Liquid Water ◽

Dynamics Simulation

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The dielectric properties of LiOH aqueous solution under external electromagnetic fields by molecular dynamics simulation

Journal of Molecular Liquids ◽

10.1016/j.molliq.2016.01.090 ◽

2016 ◽

Vol 216 ◽

pp. 747-753

Author(s):

Shuang Liu ◽

Guo-zhu Jia

Keyword(s):

Molecular Dynamics ◽

Aqueous Solution ◽

Dielectric Properties ◽

Molecular Dynamics Simulation ◽

Electromagnetic Fields ◽

Dynamics Simulation ◽

External Electromagnetic Fields

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On the composition dependence of thermodynamic, dynamic and dielectric properties of water-methanol model mixtures. Molecular dynamics simulation results

Condensed Matter Physics ◽

10.5488/cmp.18.43602 ◽

2015 ◽

Vol 18 (4) ◽

pp. 43602 ◽

Cited By ~ 4

Author(s):

Galicia-Andrés ◽

Dominguez ◽

Pusztai ◽

Pizio

Keyword(s):

Molecular Dynamics ◽

Dielectric Properties ◽

Molecular Dynamics Simulation ◽

Composition Dependence ◽

Dynamics Simulation ◽

Simulation Results

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