Structure and dynamics of cumene and 1,2,4-trimethylbenzene mixture in NaY zeolite: a molecular dynamics simulation study

Molecular Simulation ◽

10.1080/08927022.2014.942660 ◽

2014 ◽

Vol 41 (5-6) ◽

pp. 423-431 ◽

Author(s):

Srinivasa Rao Varanasi ◽

S. Yashonath

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Zeolite A ◽

Nay Zeolite ◽

Structure And Dynamics

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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 ◽

Author(s):

Ioannis Skarmoutsos ◽

Jannis Samios

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Structure And Dynamics ◽

Supercritical Solutions

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Molecular Dynamics Simulation Studies of Zeolite-A. IV. Structure and Dynamics of NH4+ions in a Rigid Dehydrated Zeolite-A

Molecular Simulation ◽

10.1080/08927029608024100 ◽

1996 ◽

Vol 17 (2) ◽

pp. 113-130

Author(s):

Sang Gu Choi ◽

Song Hi Lee

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Simulation Studies ◽

Zeolite A ◽

Structure And Dynamics

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

The Journal of Chemical Physics ◽

10.1063/1.5120456 ◽

2019 ◽

Vol 151 (11) ◽

pp. 114705 ◽

Author(s):

Euihyun Lee ◽

Achintya Kundu ◽

Jonggu Jeon ◽

Minhaeng Cho

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bonding ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Experimental Comparison ◽

Bonding Structure ◽

Structure And Dynamics ◽

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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 ◽

Author(s):

Tamisra Pal ◽

Constantin Beck ◽

Dominik Lessnich ◽

Michael Vogel

Keyword(s):

Molecular Dynamics ◽

Ionic Liquids ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Room Temperature ◽

Dynamics Simulation ◽

Room Temperature Ionic Liquids ◽

Silica Surfaces ◽

Structure And Dynamics

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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 ◽

Author(s):

Manish Chopra ◽

Niharendu Choudhury

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Ion Concentration ◽

Dynamics Simulation ◽

Structure And Dynamics

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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 ◽

Author(s):

B.L. Bhargava ◽

S. Balasubramanian

Keyword(s):

Molecular Dynamics ◽

Ionic Liquid ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Structure And Dynamics

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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 ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Simulation Study ◽

Dynamics Simulation ◽

Ab Initio Molecular Dynamics ◽

Structure And Dynamics

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

The Journal of Chemical Physics ◽

10.1063/1.1318773 ◽

2000 ◽

Vol 113 (19) ◽

pp. 8817-8826 ◽

Author(s):

Sanjib Senapati ◽

Amalendu Chandra

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Surface Charge ◽

Simulation Study ◽

Dynamics Simulation ◽

Liquid Interfaces ◽

Structure And Dynamics ◽

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A Molecular Dynamics Simulation Study of Outer Membrane Phospholipase a (OMPLA) Structure and Dynamics in an Asymmetric Lipopolysaccharide Membrane

Biophysical Journal ◽

10.1016/j.bpj.2013.11.3632 ◽

2014 ◽

Vol 106 (2) ◽

pp. 656a ◽

Author(s):

Emilia L. Wu ◽

Patrick J. Fleming ◽

Jeffery B. Klauda ◽

Karen G. Fleming ◽

Wonpil Im

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Outer Membrane ◽

Simulation Study ◽

Phospholipase A ◽

Dynamics Simulation ◽

Structure And Dynamics ◽

Outer Membrane Phospholipase A

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Dynamics of 1,3-butadiene adsorbed in Na-Y zeolite: A molecular dynamics simulation study

Physical Review E ◽

10.1103/physreve.77.061201 ◽

2008 ◽

Vol 77 (6) ◽

Author(s):

Siddharth Gautam ◽

S. Mitra ◽

S. L. Chaplot ◽

R. Mukhopadhyay

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Simulation Study ◽

Dynamics Simulation ◽

Zeolite A ◽

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