Atomistic molecular dynamics simulation of liquid carbon tetrachloride confined in pillared pore materials

Qingyuan Yang; Chongli Zhong

doi:10.1016/j.ces.2004.09.002

Atomistic molecular dynamics simulation of liquid carbon tetrachloride confined in pillared pore materials

Chemical Engineering Science ◽

10.1016/j.ces.2004.09.002 ◽

2005 ◽

Vol 60 (3) ◽

pp. 767-775 ◽

Cited By ~ 6

Author(s):

Qingyuan Yang ◽

Chongli Zhong

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Carbon Tetrachloride ◽

Dynamics Simulation ◽

Liquid Carbon

Download Full-text

A Molecular Dynamics Simulation Study of Liquid Carbon Tetrachloride

Molecular Simulation ◽

10.1080/08927029608022351 ◽

1996 ◽

Vol 18 (1-2) ◽

pp. 1-11 ◽

Cited By ~ 23

Author(s):

Ilario G. Tironi ◽

Patrick Fontana ◽

Wilfred F. van Gunsteren

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Carbon Tetrachloride ◽

Simulation Study ◽

Dynamics Simulation ◽

Liquid Carbon

Download Full-text

Molecular dynamics simulation of liquid carbon tetrachloride using ab initio force field

The Journal of Chemical Physics ◽

10.1063/1.3293129 ◽

2010 ◽

Vol 132 (2) ◽

pp. 024506 ◽

Cited By ~ 16

Author(s):

Arvin Huang-Te Li ◽

Shou-Cheng Huang ◽

Sheng D. Chao

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Carbon Tetrachloride ◽

Force Field ◽

Ab Initio ◽

Dynamics Simulation ◽

Liquid Carbon

Download Full-text

Temperature dependence of single particle dynamics of flexible liquid carbon disulfide using molecular dynamics simulation

Journal of Molecular Structure THEOCHEM ◽

10.1016/s0166-1280(97)00296-0 ◽

1998 ◽

Vol 429 ◽

pp. 23-30 ◽

Cited By ~ 2

Author(s):

Tetsuo Nakagawa ◽

Hiroshi Urakawa ◽

Kanji Kajiwara ◽

Soichi Hayashi

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Temperature Dependence ◽

Carbon Disulfide ◽

Single Particle ◽

Particle Dynamics ◽

Dynamics Simulation ◽

Liquid Carbon ◽

Liquid Carbon Disulfide

Download Full-text

Hydrogen-bonded complexes protocatechualdehyde - acetone in carbon tetrachloride: NMR-spectroscopy and molecular dynamics simulation

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.113124 ◽

2020 ◽

Vol 309 ◽

pp. 113124 ◽

Cited By ~ 1

Author(s):

Darya L. Gurina ◽

Vasiliy A. Golubev

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Nmr Spectroscopy ◽

Carbon Tetrachloride ◽

Dynamics Simulation ◽

Bonded Complexes ◽

Hydrogen Bonded

Download Full-text

Liquid carbon quenching on a cold diamond layer: Multiparticle molecular dynamics simulation

Journal of Physics Conference Series ◽

10.1088/1742-6596/1147/1/012008 ◽

2019 ◽

Vol 1147 ◽

pp. 012008

Author(s):

V S Dozhdikov ◽

A Yu Basharin ◽

P R Levashov

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Liquid Carbon ◽

Diamond Layer

Download Full-text

Structural and electronic properties of liquid carbon: ab initio molecular-dynamics simulation

Journal of Physics Conference Series ◽

10.1088/1742-6596/98/4/042014 ◽

2008 ◽

Vol 98 (4) ◽

pp. 042014 ◽

Cited By ~ 4

Author(s):

A Harada ◽

F Shimojo ◽

K Hoshino

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Ab Initio ◽

Electronic Properties ◽

Dynamics Simulation ◽

Ab Initio Molecular Dynamics ◽

Liquid Carbon ◽

Structural And Electronic Properties

Download Full-text

Study of homogeneous bubble nucleation in liquid carbon dioxide by a hybrid approach combining molecular dynamics simulation and density gradient theory

The Journal of Chemical Physics ◽

10.1063/1.5022231 ◽

2018 ◽

Vol 148 (12) ◽

pp. 124702 ◽

Cited By ~ 5

Author(s):

K. Langenbach ◽

M. Heilig ◽

M. Horsch ◽

H. Hasse

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Density Gradient ◽

Hybrid Approach ◽

Bubble Nucleation ◽

Dynamics Simulation ◽

Gradient Theory ◽

Liquid Carbon ◽

Density Gradient Theory

Download Full-text

Order-Ntight-binding molecular dynamics simulation with a Fermi operator expansion approach: application to a liquid carbon

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/12/8/305 ◽

2000 ◽

Vol 12 (8) ◽

pp. 1627-1639 ◽

Cited By ~ 1

Author(s):

T Oda ◽

Y Hiwatari

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Liquid Carbon ◽

Operator Expansion ◽

Fermi Operator

Download Full-text

Features of Structural Solvation of Methylxanthines in Carbon Tetrachloride–Methanol Binary Mixtures: Molecular Dynamics Simulation

Russian Journal of Physical Chemistry A ◽

10.1134/s0036024419010102 ◽

2019 ◽

Vol 93 (1) ◽

pp. 75-80

Author(s):

D. L. Gurina ◽

V. A. Golubev

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Carbon Tetrachloride ◽

Binary Mixtures ◽

Dynamics Simulation

Download Full-text

Molecular motion and solvation of benzene in water, carbon tetrachloride, carbon disulfide and benzene: A combined molecular dynamics simulation and nuclear magnetic resonance study

The Journal of Chemical Physics ◽

10.1063/1.475408 ◽

1998 ◽

Vol 108 (2) ◽

pp. 455-468 ◽

Cited By ~ 45

Author(s):

Aatto Laaksonen ◽

Peter Stilbs ◽

Roderick E. Wasylishen

Keyword(s):

Molecular Dynamics ◽

Nuclear Magnetic Resonance ◽

Molecular Dynamics Simulation ◽

Carbon Tetrachloride ◽

Magnetic Resonance ◽

Carbon Disulfide ◽

Molecular Motion ◽

Nuclear Magnetic Resonance Study ◽

Dynamics Simulation ◽

Magnetic Resonance Study

Download Full-text