MOLECULAR DYNAMICS SIMULATION OF GAS ADSORPTION AND ABSORPTION IN NANOTUBES

Gas Adsorption ◽

Chemo-mechanical coupling in kerogen gas adsorption/desorption

Physical Chemistry Chemical Physics ◽

10.1039/c8cp01068d ◽

2018 ◽

Vol 20 (18) ◽

pp. 12390-12395 ◽

Cited By ~ 33

Author(s):

Tuan Anh Ho ◽

Yifeng Wang ◽

Louise J. Criscenti

Keyword(s):

Molecular Dynamics ◽

Monte Carlo ◽

Simulation Study ◽

Gas Adsorption ◽

Dynamics Simulation ◽

Hybrid Monte Carlo ◽

Mechanical Coupling ◽

Adsorption Desorption

Strong chemo-mechanical coupling in kerogen gas adsorption from a hybrid Monte Carlo/molecular dynamics simulation study.

Molecular dynamics simulation of gas adsorption on defected graphene

Molecular Physics ◽

10.1080/00268976.2013.785609 ◽

2013 ◽

Vol 111 (24) ◽

pp. 3726-3732 ◽

Cited By ~ 11

Author(s):

Maryam Kharatha ◽

Aminollah Vaez ◽

Amir Seyed Hasan Rozatian

Keyword(s):

Molecular Dynamics ◽

Gas Adsorption ◽

Dynamics Simulation ◽

Defected Graphene

Molecular dynamics simulation of noble gas adsorption on graphite: New effective potentials including many-body interactions

Journal of Molecular Liquids ◽

10.1016/j.molliq.2016.07.035 ◽

2016 ◽

Vol 222 ◽

pp. 915-922 ◽

Cited By ~ 4

Author(s):

M. Abbaspour ◽

H. Akbarzadeh ◽

S. Salemi ◽

M. Sherafati

Keyword(s):

Molecular Dynamics ◽

Gas Adsorption ◽

Noble Gas ◽

Dynamics Simulation ◽

Many Body ◽

Effective Potentials ◽

Many Body Interactions

Molecular dynamics simulation of a graphite-supported copper nanocluster: thermodynamic properties and gas adsorption

Molecular Physics ◽

10.1080/00268976.2011.640953 ◽

2012 ◽

Vol 110 (5) ◽

pp. 267-276 ◽

Cited By ~ 27

Author(s):

S. Jalili ◽

C. Mochani ◽

M. Akhavan ◽

J. Schofield

Keyword(s):

Molecular Dynamics ◽

Thermodynamic Properties ◽

Gas Adsorption ◽

Rotational dynamics and velocity segregation in plastic KCIO4: a molecular dynamics simulation

Molecular Physics ◽

10.1080/00268979809482256 ◽

1998 ◽

Vol 93 (5) ◽

pp. 703-711

Author(s):

F. AFFOUARD ◽

PH. DEPONDT

Keyword(s):

Molecular Dynamics ◽

Rotational Dynamics ◽

Molecular dynamics simulation of the dynamics of supercooled silica

Philosophical Magazine B ◽

10.1080/014186398259374 ◽

1998 ◽

Vol 77 (2) ◽

pp. 297-303 ◽

Cited By ~ 24

Author(s):

J. Horbach, W. Kob, K. Binder

Keyword(s):

Molecular Dynamics ◽

ACPD ligands for glutamic receptors : conformational analysis by NMR spectroscopy and molecular dynamics. Simulation in water of glutamic acid analogues containing a cyclopentane ring

Journal de Chimie Physique ◽

10.1051/jcp/1995921809 ◽

1995 ◽

Vol 92 ◽

pp. 1809-1812

Author(s):

V Larue ◽

J Gharby-Benarous ◽

D Todeschi ◽

F Acher ◽

R Azerad ◽

...

Keyword(s):

Molecular Dynamics ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Glutamic Acid ◽

Dynamics Simulation ◽

Cyclopentane Ring

Nonequilibrium effects in electron-ion strongly coupled plasmas. Molecular dynamics simulation

Journal de Physique IV (Proceedings) ◽

10.1051/jp4:2000545 ◽

2000 ◽

Vol 10 (PR5) ◽

pp. Pr5-255-Pr5-258 ◽

Cited By ~ 5

Author(s):

G. E. Norman ◽

A. A. Valuev ◽

I. A. Valuev

Keyword(s):

Molecular Dynamics ◽

Dynamics Simulation ◽

Strongly Coupled ◽

Strongly Coupled Plasmas ◽

Nonequilibrium Effects ◽

Coupled Plasmas

A molecular dynamics simulation for an ODIC phase. - III. Analysis of the correlation functions

Journal de Physique ◽

10.1051/jphys:01987004805082100 ◽

1987 ◽

Vol 48 (5) ◽

pp. 821-835 ◽

Cited By ~ 6

Author(s):

Ph. Buchet ◽

R.M. Pick

Keyword(s):

Molecular Dynamics ◽

Correlation Functions ◽

Dynamics Simulation ◽

Phase Iii

ROLE OF THE CONSERVATIVE INTERHELICAL HYDROGEN BOND SER74-TRP158 AT THE CHOLESTEROL BINDING SITE IN THE CONFORMATIONAL STABILITY OF THE b2-ADRENERGIC RECEPTOR: MOLECULAR DYNAMICS SIMULATION

Журнал структурной химии ◽

10.15372/jsc20170224 ◽

2017 ◽

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Binding Site ◽

Adrenergic Receptor ◽

Conformational Stability ◽

Dynamics Simulation ◽

Cholesterol Binding