Metastability of copper(II) organic compounds: Molecular dynamics simulation

Doklady Physical Chemistry ◽

10.1134/s0012501612090023 ◽

2012 ◽

Vol 446 (1) ◽

pp. 145-148

Author(s):

E. M. Zubanova ◽

E. N. Golubeva ◽

G. M. Zhidomirov

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Organic Compounds ◽

Dynamics Simulation

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Molecular dynamics simulation of dielectric barrier discharge–photocatalyst synergistic treatment of volatile organic compounds

AIP Advances ◽

10.1063/1.5117253 ◽

2019 ◽

Vol 9 (11) ◽

pp. 115208

Author(s):

Yihan Wang ◽

Tong Zhao ◽

Li Zhang ◽

Liang Zou ◽

Yuantao Zhang

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Volatile Organic Compounds ◽

Dielectric Barrier Discharge ◽

Organic Compounds ◽

Barrier Discharge ◽

Dynamics Simulation ◽

Dielectric Barrier ◽

Volatile Organic

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Sorptive Characteristics of Organomontmorillonite toward Organic Compounds: A Combined LFERs and Molecular Dynamics Simulation Study

Environmental Science & Technology ◽

10.1021/es200211r ◽

2011 ◽

Vol 45 (15) ◽

pp. 6504-6510 ◽

Author(s):

Runliang Zhu ◽

Wangxiang Chen ◽

Thomas V. Shapley ◽

Marco Molinari ◽

Fei Ge ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Organic Compounds ◽

Simulation Study ◽

Dynamics Simulation

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Swelling mechanism of PEBA-2533 membrane for pervaporation separation of high boiling point organic compounds: Experiment and molecular dynamics simulation

Separation and Purification Technology ◽

10.1016/j.seppur.2020.116851 ◽

2020 ◽

Vol 245 ◽

pp. 116851

Author(s):

Hongyun Wang ◽

Changlin Liu ◽

Qian Xu ◽

Xiao Du ◽

Chuncheng Li ◽

...

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Organic Compounds ◽

Boiling Point ◽

Dynamics Simulation ◽

Swelling Mechanism ◽

High Boiling Point ◽

Pervaporation Separation

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Solubility of Organic Compounds in Water/Octanol Systems. A Expanded Ensemble Molecular Dynamics Simulation Study of logPParameters

The Journal of Physical Chemistry B ◽

10.1021/jp0036902 ◽

2001 ◽

Vol 105 (32) ◽

pp. 7775-7782 ◽

Author(s):

Alexander P. Lyubartsev ◽

Sven P. Jacobsson ◽

Göran Sundholm ◽

Aatto Laaksonen

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Organic Compounds ◽

Simulation Study ◽

Dynamics Simulation ◽

Expanded Ensemble

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A comparative density functional theory and molecular dynamics simulation studies of the corrosion inhibitory action of two novel N-heterocyclic organic compounds along with a few others over steel surface

Journal of Molecular Liquids ◽

10.1016/j.molliq.2016.01.024 ◽

2016 ◽

Vol 215 ◽

pp. 486-495 ◽

Author(s):

Sourav Kr. Saha ◽

Abhiram Hens ◽

Naresh Chandra Murmu ◽

Priyabrata Banerjee

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Molecular Dynamics Simulation ◽

Organic Compounds ◽

Density Functional ◽

Inhibitory Action ◽

Steel Surface ◽

Dynamics Simulation ◽

Simulation Studies ◽

Functional Theory

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Molecular dynamics simulation study on the structure II clathrate-hydrates of methane + cyclic organic compounds

Petroleum Science and Technology ◽

10.1080/10916466.2016.1194860 ◽

2016 ◽

Vol 34 (14) ◽

pp. 1226-1232 ◽

Author(s):

M. Gharebeiglou ◽

H. Erfan-Niya ◽

Sh. Izadkhah

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Organic Compounds ◽

Simulation Study ◽

Clathrate Hydrates ◽

Dynamics Simulation

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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 ◽

Author(s):

J. Horbach, W. Kob, K. Binder

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

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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 ◽

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 ◽

Vol 10 (PR5) ◽

pp. Pr5-255-Pr5-258 ◽

Author(s):

G. E. Norman ◽

A. A. Valuev ◽

I. A. Valuev

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Strongly Coupled ◽

Strongly Coupled Plasmas ◽

Nonequilibrium Effects ◽

Coupled Plasmas

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