Molecular Dynamics Study of Polarization Effects on AgI

Vicente Bitrián; Joaquim Trullàs

doi:10.1021/jp077604a

Molecular Dynamics Study of Polarization Effects on AgI

The Journal of Physical Chemistry B ◽

10.1021/jp077604a ◽

2008 ◽

Vol 112 (6) ◽

pp. 1718-1728 ◽

Cited By ~ 24

Author(s):

Vicente Bitrián ◽

Joaquim Trullàs

Keyword(s):

Molecular Dynamics ◽

Polarization Effects

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Fullerene C60 spectroscopy in [BMIM][PF6] ionic liquid: molecular dynamics study using polarization effects

Journal of Molecular Structure ◽

10.1016/j.molstruc.2021.131887 ◽

2021 ◽

pp. 131887

Author(s):

Wesley Bueno Cardoso ◽

Guilherme Colherinhas

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Fullerene C60 ◽

Polarization Effects

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Incorporating surface polarization effects into large-scale coarse-grained Molecular Dynamics simulation

Computer Physics Communications ◽

10.1016/j.cpc.2019.03.006 ◽

2019 ◽

Vol 241 ◽

pp. 80-91 ◽

Cited By ~ 5

Author(s):

Trung Dac Nguyen ◽

Honghao Li ◽

Debarshee Bagchi ◽

Francisco J. Solis ◽

Monica Olvera de la Cruz

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Large Scale ◽

Dynamics Simulation ◽

Coarse Grained ◽

Polarization Effects ◽

Surface Polarization ◽

Coarse Grained Molecular Dynamics

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First principles molecular dynamics of molten NaI: Structure, self-diffusion, polarization effects, and charge transfer

The Journal of Chemical Physics ◽

10.1063/1.2768968 ◽

2007 ◽

Vol 127 (9) ◽

pp. 094506 ◽

Cited By ~ 20

Author(s):

N. Galamba ◽

B. J. Costa Cabral

Keyword(s):

Molecular Dynamics ◽

Charge Transfer ◽

First Principles ◽

Polarization Effects ◽

Self Diffusion ◽

Diffusion Polarization ◽

First Principles Molecular Dynamics

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Polarization Effects in Dynamic Interfaces of Platinum Electrodes and Ionic Liquid Phases: A Molecular Dynamics Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.9b10354 ◽

2019 ◽

Vol 124 (3) ◽

pp. 2002-2007 ◽

Cited By ~ 2

Author(s):

Margherita Buraschi ◽

Stefano Sansotta ◽

Dirk Zahn

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Platinum Electrodes ◽

Polarization Effects ◽

Liquid Phases

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Accounting for Electronic Polarization Effects in Aqueous Sodium Chloride via Molecular Dynamics Aided by Neutron Scattering

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.5b05221 ◽

2015 ◽

Vol 120 (8) ◽

pp. 1454-1460 ◽

Cited By ~ 57

Author(s):

Miriam Kohagen ◽

Philip E. Mason ◽

Pavel Jungwirth

Keyword(s):

Molecular Dynamics ◽

Sodium Chloride ◽

Neutron Scattering ◽

Electronic Polarization ◽

Aqueous Sodium ◽

Polarization Effects

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Importance of Polarization Effects in Modeling the Hydrogen Bond in Water Using Classical Molecular Dynamics Techniques

The Journal of Physical Chemistry B ◽

10.1021/jp9731258 ◽

1998 ◽

Vol 102 (3) ◽

pp. 620-624 ◽

Cited By ~ 57

Author(s):

Liem X. Dang

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Polarization Effects ◽

Classical Molecular Dynamics

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Polarization effects in molecular dynamics simulations of glass-formers Ca(NO3)2⋅nH2O, n=4, 6, and 8

The Journal of Chemical Physics ◽

10.1063/1.3386678 ◽

2010 ◽

Vol 132 (13) ◽

pp. 134512 ◽

Cited By ~ 7

Author(s):

Mauro C. C. Ribeiro

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Polarization Effects ◽

Dynamics Simulations

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Investigation of polarization effects in the gramicidin A channel from ab initio molecular dynamics simulations

The Journal of Chemical Physics ◽

10.1063/1.4768247 ◽

2012 ◽

Vol 137 (20) ◽

pp. 205106 ◽

Cited By ~ 6

Author(s):

Jeff Timko ◽

Serdar Kuyucak

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Gramicidin A ◽

Ab Initio Molecular Dynamics ◽

Polarization Effects ◽

Dynamics Simulations

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Polarization effects on peptide conformations at water-membrane interface by molecular dynamics simulation

Journal of Computational Chemistry ◽

10.1002/(sici)1096-987x(19990715)20:9<971::aid-jcc8>3.0.co;2-0 ◽

1999 ◽

Vol 20 (9) ◽

pp. 971-982 ◽

Cited By ~ 22

Author(s):

Pedro G. Pascutti ◽

Kleber C. Mundim ◽

Amando S. Ito ◽

Paulo M. Bisch

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Membrane Interface ◽

Polarization Effects ◽

Peptide Conformations

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Electrode polarization effects on interfacial kinetics of ionic liquid at graphite surface: An extended lagrangian‐based constant potential molecular dynamics simulation study

Journal of Computational Chemistry ◽

10.1002/jcc.25865 ◽

2019 ◽

Vol 40 (24) ◽

pp. 2131-2145 ◽

Cited By ~ 2

Author(s):

Taichi Inagaki ◽

Masataka Nagaoka

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Electrode Polarization ◽

Polarization Effects ◽

Interfacial Kinetics ◽

Constant Potential ◽

Kinetics Of

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