Effects of Deep Eutectic Solvents on H 2 SO 4 ‐catalyzed Alkylation: Combining Experiment and Molecular Dynamics Simulation

Deep Eutectic Solvents ◽

The Study of Structure and Interactions of Glucose-Based Natural Deep Eutectic Solvents by Molecular Dynamics Simulation

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.115956 ◽

2021 ◽

pp. 115956

Author(s):

Samaneh Barani Pour ◽

Jaber Jahanbin Sardroodi ◽

Alireza Rastkar Ebrahimzadeh

Keyword(s):

Molecular Dynamics ◽

Deep Eutectic Solvents ◽

Dynamics Simulation ◽

Natural Deep Eutectic Solvents

Thermal conductivity of aqueous solutions of reline, ethaline, and glyceline deep eutectic solvents; a molecular dynamics simulation study

Molecular Physics ◽

10.1080/00268976.2021.1876263 ◽

2021 ◽

pp. e1876263

Author(s):

Alper T. Celebi ◽

Thijs J. H. Vlugt ◽

Othonas A. Moultos

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Aqueous Solutions ◽

Simulation Study ◽

Deep Eutectic Solvents ◽

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

SCALE INHIBITION OF SODIUM CARBOXYMETHYL CELLULOSE AT DIFFERENT GROWTH STAGES BASED ON MOLECULAR DYNAMICS SIMULATION

Heat Transfer Research ◽

10.1615/heattransres.2020033226 ◽

2020 ◽

Vol 51 (16) ◽

pp. 1455-1464

Author(s):

Yu Zhao ◽

Shanshan He ◽

Zhiming Xu ◽

Bingbing Wang

Keyword(s):

Molecular Dynamics ◽

Carboxymethyl Cellulose ◽

Dynamics Simulation ◽

Sodium Carboxymethyl Cellulose ◽

Growth Stages ◽

Scale Inhibition ◽

Different Growth Stages

MOLECULAR DYNAMICS SIMULATION OF NANOSCALE ARGON DROPLET MOTION ON SOLID SURFACE INDUCED BY TEMPERATURE GRADIENT

Equipment ◽

10.1615/ihtc13.p8.160 ◽

2006 ◽

Author(s):

Dr. Akira Murata ◽

Dr. Sadanari Mochizuki

Keyword(s):

Molecular Dynamics ◽

Temperature Gradient ◽

Solid Surface ◽

Dynamics Simulation ◽

Droplet Motion