The thermodynamics of solvophobic effects: A molecular‐dynamics study of n‐butane in carbon tetrachloride and water

Douglas J. Tobias; Charles L. Brooks

doi:10.1063/1.457951

The thermodynamics of solvophobic effects: A molecular‐dynamics study of n‐butane in carbon tetrachloride and water

The Journal of Chemical Physics ◽

10.1063/1.457951 ◽

1990 ◽

Vol 92 (4) ◽

pp. 2582-2592 ◽

Cited By ~ 43

Author(s):

Douglas J. Tobias ◽

Charles L. Brooks

Keyword(s):

Molecular Dynamics ◽

Carbon Tetrachloride ◽

Solvophobic Effects

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A Mixed Quantum-Classical Molecular Dynamics Study of the Hydroxyl Stretch in Methanol/Carbon Tetrachloride Mixtures: Equilibrium Hydrogen-Bond Structure and Dynamics at the Ground State and the Infrared Absorption Spectrum

The Journal of Physical Chemistry B ◽

10.1021/jp204245z ◽

2011 ◽

Vol 115 (29) ◽

pp. 9184-9194 ◽

Cited By ~ 19

Author(s):

Kijeong Kwac ◽

Eitan Geva

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Absorption Spectrum ◽

Carbon Tetrachloride ◽

Infrared Absorption ◽

Ground State ◽

Infrared Absorption Spectrum ◽

Structure And Dynamics ◽

Classical Molecular Dynamics

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Molecular dynamics study of the thermodynamic and structural properties of methanol and polarizable/non‐polarizable carbon tetrachloride mixtures

The Journal of Chemical Physics ◽

10.1063/1.472145 ◽

1996 ◽

Vol 105 (7) ◽

pp. 2828-2836 ◽

Cited By ~ 46

Author(s):

R. Veldhuizen ◽

S. W. de Leeuw

Keyword(s):

Molecular Dynamics ◽

Carbon Tetrachloride ◽

Structural Properties

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A Mixed Quantum-Classical Molecular Dynamics Study of the Hydroxyl Stretch in Methanol/Carbon Tetrachloride Mixtures III: Nonequilibrium Hydrogen-Bond Dynamics and Infrared Pump–Probe Spectra

The Journal of Physical Chemistry B ◽

10.1021/jp403726t ◽

2013 ◽

Vol 117 (25) ◽

pp. 7737-7749 ◽

Cited By ~ 11

Author(s):

Kijeong Kwac ◽

Eitan Geva

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bond ◽

Carbon Tetrachloride ◽

Pump Probe ◽

Classical Molecular Dynamics ◽

Hydrogen Bond Dynamics

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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

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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

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Molecular dynamics simulations of liquid, interface, and ionic solvation of polarizable carbon tetrachloride

The Journal of Chemical Physics ◽

10.1063/1.470319 ◽

1995 ◽

Vol 103 (17) ◽

pp. 7502-7513 ◽

Cited By ~ 48

Author(s):

Tsun‐Mei Chang ◽

Kirk A. Peterson ◽

Liem X. Dang

Keyword(s):

Molecular Dynamics ◽

Carbon Tetrachloride ◽

Molecular Dynamics Simulations ◽

Liquid Interface ◽

Ionic Solvation ◽

Dynamics Simulations

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A comparative molecular dynamics and neutron scattering study of the liquid mixture carbon tetrachloride/carbon disulphide

Molecular Physics ◽

10.1080/00268978900101691 ◽

1989 ◽

Vol 67 (5) ◽

pp. 1141-1151 ◽

Cited By ~ 8

Author(s):

U. Mittag ◽

J. Samios ◽

Th. Dorfmueller ◽

St. Guenster ◽

M.D. Zeidler ◽

...

Keyword(s):

Molecular Dynamics ◽

Carbon Tetrachloride ◽

Neutron Scattering ◽

Liquid Mixture ◽

Carbon Disulphide ◽

Scattering Study ◽

Neutron Scattering Study

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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

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Mixed Quantum-Classical Molecular Dynamics Study of the Hydroxyl Stretch in Methanol/Carbon-Tetrachloride Mixtures II: Excited State Hydrogen Bonding Structure and Dynamics, Infrared Emission Spectrum, and Excited State Lifetime

The Journal of Physical Chemistry B ◽

10.1021/jp211792j ◽

2012 ◽

Vol 116 (9) ◽

pp. 2856-2866 ◽

Cited By ~ 24

Author(s):

Kijeong Kwac ◽

Eitan Geva

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bonding ◽

Excited State ◽

Carbon Tetrachloride ◽

Emission Spectrum ◽

Infrared Emission ◽

Excited State Lifetime ◽

Bonding Structure ◽

Structure And Dynamics ◽

Classical Molecular Dynamics

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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

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