Investigation of the Structure of Ethanol–Water Mixtures by Molecular Dynamics Simulation I: Analyses Concerning the Hydrogen-Bonded Pairs

Orsolya Gereben; László Pusztai

doi:10.1021/jp510490y

Investigation of the Structure of Ethanol–Water Mixtures by Molecular Dynamics Simulation I: Analyses Concerning the Hydrogen-Bonded Pairs

The Journal of Physical Chemistry B ◽

10.1021/jp510490y ◽

2015 ◽

Vol 119 (7) ◽

pp. 3070-3084 ◽

Cited By ~ 51

Author(s):

Orsolya Gereben ◽

László Pusztai

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Hydrogen Bonded

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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 simulation of the soft mode for hydrogen-bonded ferroelectrics

Physical Review B ◽

10.1103/physrevb.66.174101 ◽

2002 ◽

Vol 66 (17) ◽

Cited By ~ 15

Author(s):

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B. Rakvin

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Soft Mode ◽

Dynamics Simulation ◽

Hydrogen Bonded

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Topology of hydrogen-bonded clusters in sub- and supercritical n-buthanol. Molecular dynamics simulation

Russian Journal of Physical Chemistry A ◽

10.1134/s0036024410120125 ◽

2010 ◽

Vol 84 (12) ◽

pp. 2077-2081 ◽

Cited By ~ 3

Author(s):

D. V. Ivlev ◽

A. A. Dyshin ◽

M. G. Kiselev ◽

A. M. Kolker

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Hydrogen Bonded

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Hydrogen Bonding of Water to Phosphatidylcholine in the Membrane As Studied by a Molecular Dynamics Simulation: Location, Geometry, and Lipid−Lipid Bridging via Hydrogen-Bonded Water

The Journal of Physical Chemistry A ◽

10.1021/jp962099v ◽

1997 ◽

Vol 101 (20) ◽

pp. 3677-3691 ◽

Cited By ~ 161

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Marta Pasenkiewicz-Gierula ◽

Yuji Takaoka ◽

Hiroo Miyagawa ◽

Kunihiro Kitamura ◽

Akihiro Kusumi

Keyword(s):

Molecular Dynamics ◽

Hydrogen Bonding ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Hydrogen Bonded

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Correction to “Investigation of the Structure of Ethanol–Water Mixtures by Molecular Dynamics Simulation I: Analyses Concerning the Hydrogen-Bonded Pairs”

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.5b02167 ◽

2015 ◽

Vol 119 (12) ◽

pp. 4564-4564 ◽

Cited By ~ 5

Author(s):

Orsolya Gereben ◽

László Pusztai

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Hydrogen Bonded

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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 ◽

Molecular Dynamics Simulation ◽

Rotational Dynamics ◽

Dynamics Simulation

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Molecular dynamics simulation of the dynamics of supercooled silica

Philosophical Magazine B ◽

10.1080/014186398259374 ◽

1998 ◽

Vol 77 (2) ◽

pp. 297-303 ◽

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Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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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 ◽

Molecular Dynamics Simulation ◽

Nmr Spectroscopy ◽

Conformational Analysis ◽

Glutamic Acid ◽

Dynamics Simulation ◽

Cyclopentane Ring

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

Journal de Physique IV (Proceedings) ◽

10.1051/jp4:2000545 ◽

2000 ◽

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Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Strongly Coupled ◽

Strongly Coupled Plasmas ◽

Nonequilibrium Effects ◽

Coupled Plasmas

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

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10.1051/jphys:01987004805082100 ◽

1987 ◽

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pp. 821-835 ◽

Cited By ~ 6

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R.M. Pick

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Correlation Functions ◽

Dynamics Simulation ◽

Phase Iii

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