Donor-Acceptor Structure and Dynamics: Molecular Dynamics Simulation Study of TIP4P/2005 Water Model

Simulation Study ◽

Dynamics Simulation ◽

Water Model ◽

Structure And Dynamics ◽

Donor Acceptor

Local intermolecular structure and dynamics in binary supercritical solutions. A molecular dynamics simulation study of methane in carbon dioxide

Journal of Molecular Liquids ◽

10.1016/j.molliq.2005.11.023 ◽

2006 ◽

Vol 125 (2-3) ◽

pp. 181-186 ◽

Cited By ~ 15

Author(s):

Ioannis Skarmoutsos ◽

Jannis Samios

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Simulation Study ◽

Dynamics Simulation ◽

Structure And Dynamics ◽

Supercritical Solutions

Water hydrogen-bonding structure and dynamics near lipid multibilayer surface: Molecular dynamics simulation study with direct experimental comparison

10.1063/1.5120456 ◽

2019 ◽

Vol 151 (11) ◽

pp. 114705 ◽

Cited By ~ 6

Author(s):

Euihyun Lee ◽

Achintya Kundu ◽

Jonggu Jeon ◽

Minhaeng Cho

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bonding ◽

Simulation Study ◽

Dynamics Simulation ◽

Experimental Comparison ◽

Bonding Structure ◽

Structure And Dynamics ◽

Water Hydrogen

A molecular-dynamics simulation study of water on NaCl(100) using a polarizable water model

10.1063/1.479145 ◽

1999 ◽

Vol 110 (24) ◽

pp. 12097-12107 ◽

Cited By ~ 52

Author(s):

Elmar Stöckelmann ◽

Reinhard Hentschke

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Dynamics Simulation ◽

Water Model

Effects of Silica Surfaces on the Structure and Dynamics of Room-Temperature Ionic Liquids: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b10567 ◽

2017 ◽

Vol 122 (1) ◽

pp. 624-634 ◽

Cited By ~ 18

Author(s):

Tamisra Pal ◽

Constantin Beck ◽

Dominik Lessnich ◽

Michael Vogel

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Simulation Study ◽

Room Temperature ◽

Dynamics Simulation ◽

Room Temperature Ionic Liquids ◽

Silica Surfaces ◽

Hydrogen bond, electron donor-acceptor dimer, and residence dynamics in supercritical CO2-ethanol mixtures and the effect of hydrogen bonding on single reorientational and translational dynamics: A molecular dynamics simulation study

10.1063/1.3449142 ◽

2010 ◽

Vol 133 (1) ◽

pp. 014504 ◽

Cited By ~ 31

Author(s):

Ioannis Skarmoutsos ◽

Elvira Guardia ◽

Jannis Samios

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Hydrogen Bonding ◽

Electron Donor ◽

Simulation Study ◽

Supercritical Co2 ◽

Dynamics Simulation ◽

Donor Acceptor

Effect of Uranyl Ion Concentration on Structure and Dynamics of Aqueous Uranyl Solution: A Molecular Dynamics Simulation Study

The Journal of Physical Chemistry B ◽

10.1021/jp506477s ◽

2014 ◽

Vol 118 (49) ◽

pp. 14373-14381 ◽

Cited By ~ 18

Author(s):

Manish Chopra ◽

Niharendu Choudhury

Keyword(s):

Molecular Dynamics ◽

Simulation Study ◽

Uranyl Ion ◽

Ion Concentration ◽

Dynamics Simulation ◽

Intermolecular structure and dynamics in an ionic liquid: A Car–Parrinello molecular dynamics simulation study of 1,3-dimethylimidazolium chloride

Chemical Physics Letters ◽

10.1016/j.cplett.2005.10.050 ◽

2006 ◽

Vol 417 (4-6) ◽

pp. 486-491 ◽

Cited By ~ 115

Author(s):

B.L. Bhargava ◽

S. Balasubramanian

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Simulation Study ◽

Dynamics Simulation ◽

Structure and dynamics of liquid and undercooled Cux-Zr1-x alloys: an ab initio molecular dynamics simulation study

10.1557/proc-1152-tt05-02 ◽

2008 ◽

Author(s):

Alain Pasturel ◽

Noel Jakse

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Simulation Study ◽

Dynamics Simulation ◽

Ab Initio Molecular Dynamics ◽

Surface charge induced modifications of the structure and dynamics of mixed dipolar liquids at solid–liquid interfaces: A molecular dynamics simulation study

10.1063/1.1318773 ◽

2000 ◽

Vol 113 (19) ◽

pp. 8817-8826 ◽

Cited By ~ 3

Author(s):

Sanjib Senapati ◽

Amalendu Chandra

Keyword(s):

Molecular Dynamics ◽

Surface Charge ◽

Simulation Study ◽

Dynamics Simulation ◽

Liquid Interfaces ◽

Structure And Dynamics ◽

Solid Liquid

Self-assembly of donor–acceptor semiconducting polymers in solution thin films: a molecular dynamics simulation study

Journal of Materials Chemistry C ◽

10.1039/c7tc01014a ◽

2017 ◽

Vol 5 (37) ◽

pp. 9602-9610 ◽

Cited By ~ 2

Author(s):

Makoto Yoneya ◽

Satoshi Matsuoka ◽

Jun’ya Tsutsumi ◽

Tatsuo Hasegawa

Keyword(s):

Thin Film ◽

Thin Films ◽

Molecular Dynamics ◽

Simulation Study ◽

Self Assembly ◽

Semiconducting Polymers ◽

Dynamics Simulation ◽

Polymer Thin Film ◽

Donor Acceptor

The direction of π-stacking in a polymer thin film is crucially important in applications of semiconducting polymers.