Model molecular dynamics simulation of hydrochloric acid ionization at the surface of stratospheric ice

Faraday Discussions ◽

10.1039/a801721b ◽

1998 ◽

Vol 110 ◽

pp. 301-322 ◽

Cited By ~ 65

Author(s):

Bradley J. Gertner ◽

James T. Hynes

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Hydrochloric Acid ◽

Dynamics Simulation ◽

Acid Ionization

Download Full-text

Molecular Dynamics Simulation of Hydrochloric Acid Ionization at the Surface of Stratospheric Ice

Science ◽

10.1126/science.271.5255.1563 ◽

1996 ◽

Vol 271 (5255) ◽

pp. 1563-1566 ◽

Cited By ~ 158

Author(s):

B. J. Gertner ◽

J. T. Hynes

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Hydrochloric Acid ◽

Dynamics Simulation ◽

Acid Ionization

Download Full-text

Electrochemical and molecular dynamics simulation studies on the corrosion inhibition of aluminum in molar hydrochloric acid using some imidazole derivatives

Journal of Applied Electrochemistry ◽

10.1007/s10800-009-9951-x ◽

2009 ◽

Vol 39 (12) ◽

pp. 2553-2568 ◽

Cited By ~ 49

Author(s):

K. F. Khaled ◽

Mohammed A. Amin

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Hydrochloric Acid ◽

Corrosion Inhibition ◽

Dynamics Simulation ◽

Simulation Studies ◽

Imidazole Derivatives

Download Full-text

Weight Loss, Electrochemical, Quantum Chemical Calculation, and Molecular Dynamics Simulation Studies on 2-(Benzylthio)-1,4,5-triphenyl-1H-imidazole as an Inhibitor for Carbon Steel Corrosion in Hydrochloric Acid

Industrial & Engineering Chemistry Research ◽

10.1021/ie401034h ◽

2013 ◽

Vol 52 (40) ◽

pp. 14315-14327 ◽

Cited By ~ 55

Author(s):

Dris Ben Hmamou ◽

Rachid Salghi ◽

Abdelkader Zarrouk ◽

Mohamed Reda Aouad ◽

Omar Benali ◽

...

Keyword(s):

Molecular Dynamics ◽

Weight Loss ◽

Molecular Dynamics Simulation ◽

Carbon Steel ◽

Hydrochloric Acid ◽

Quantum Chemical ◽

Steel Corrosion ◽

Dynamics Simulation ◽

Chemical Calculation ◽

Simulation Studies

Download Full-text

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

Download Full-text

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 ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation

Download Full-text

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

Download Full-text

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 ◽

Molecular Dynamics Simulation ◽

Dynamics Simulation ◽

Strongly Coupled ◽

Strongly Coupled Plasmas ◽

Nonequilibrium Effects ◽

Coupled Plasmas

Download Full-text

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 ◽

Molecular Dynamics Simulation ◽

Correlation Functions ◽

Dynamics Simulation ◽

Phase Iii

Download Full-text

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 ◽

Molecular Dynamics Simulation ◽

Binding Site ◽

Adrenergic Receptor ◽

Conformational Stability ◽

Dynamics Simulation ◽

Cholesterol Binding

Download Full-text

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 ◽

Molecular Dynamics Simulation ◽

Carboxymethyl Cellulose ◽

Dynamics Simulation ◽

Sodium Carboxymethyl Cellulose ◽

Growth Stages ◽

Scale Inhibition ◽

Different Growth Stages

Download Full-text