Molecular dynamic simulation of carbon dioxide, methane, and nitrogen adsorption on Faujasite zeolite

Chinese Journal of Chemical Engineering ◽

10.1016/j.cjche.2021.05.034 ◽

2021 ◽

Author(s):

Hojatollah Moradi ◽

Hedayat Azizpour ◽

Hossein Bahmanyar ◽

Mohammad Emamian

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Nitrogen Adsorption ◽

Faujasite Zeolite

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Dissociation mechanism of carbon dioxide hydrate by molecular dynamic simulation and ab initio calculation

Computational and Theoretical Chemistry ◽

10.1016/j.comptc.2012.04.016 ◽

2012 ◽

Vol 991 ◽

pp. 165-173 ◽

Cited By ~ 23

Author(s):

Yuan Liu ◽

Jijun Zhao ◽

Jingcheng Xu

Keyword(s):

Carbon Dioxide ◽

Ab Initio ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Ab Initio Calculation ◽

Dissociation Mechanism ◽

Carbon Dioxide Hydrate

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Hydrophilic solutes in modified carbon dioxide extraction—prediction of the extractability using molecular dynamic simulation

European Journal of Pharmaceutical Sciences ◽

10.1016/j.ejps.2005.03.007 ◽

2005 ◽

Vol 25 (2-3) ◽

pp. 321-329 ◽

Cited By ~ 5

Author(s):

Martina Günther ◽

Martin Maus ◽

Karl Gerhard Wagner ◽

Peter Christian Schmidt

Keyword(s):

Carbon Dioxide ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Carbon Dioxide Extraction ◽

Hydrophilic Solutes

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Structural behavior of Candida antarctica lipase B in water and supercritical carbon dioxide: A molecular dynamic simulation study

The Journal of Supercritical Fluids ◽

10.1016/j.supflu.2011.12.010 ◽

2012 ◽

Vol 63 ◽

pp. 180-186 ◽

Cited By ~ 27

Author(s):

Mohammad Reza Housaindokht ◽

Mohammad Reza Bozorgmehr ◽

Hassan Monhemi

Keyword(s):

Carbon Dioxide ◽

Supercritical Carbon Dioxide ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Simulation Study ◽

Candida Antarctica Lipase B ◽

Structural Behavior ◽

Candida Antarctica Lipase ◽

Molecular Dynamic Simulation Study

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Molecular Dynamic Simulation and Spectroscopic Investigation of Some Cytotoxic Palladium(II) Complexes Interaction with Human Serum Albumin

Combinatorial Chemistry & High Throughput Screening ◽

10.2174/1386207317666140926124647 ◽

2014 ◽

Vol 17 (9) ◽

pp. 781-789 ◽

Cited By ~ 4

Author(s):

Mahboube Eslami Moghadam ◽

Maryam Saidifar ◽

Faramarz Rostami-Charati ◽

Davoud Ajloo ◽

Maryam Ghadamgahi

Keyword(s):

Human Serum Albumin ◽

Serum Albumin ◽

Human Serum ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Spectroscopic Investigation

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Modeling and Proposed Molecular Mechanism of Hydroxyurea Through Docking and Molecular Dynamic Simulation to Curtail the Action of Ribonucleotide Reductase

Recent Patents on Anti-Cancer Drug Discovery ◽

10.2174/1574892811666160926143534 ◽

2016 ◽

Vol 11 (4) ◽

pp. 461-468 ◽

Cited By ~ 3

Author(s):

Maryam Iman ◽

Zeynab Khansefid ◽

Asghar Davood

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Molecular Mechanism ◽

Dynamic Simulation ◽

Ribonucleotide Reductase

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Molecular interaction in binary mixtures of 3-Bromoanisole and methanol: A microwave dielectric relaxation spectroscopy and molecular dynamic simulation study

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.115186 ◽

2021 ◽

Vol 325 ◽

pp. 115186

Author(s):

H.P. Vankar ◽

V.A. Rana ◽

S. Dey ◽

H.D. Patel ◽

V.K. Jain

Keyword(s):

Dielectric Relaxation ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Binary Mixtures ◽

Dynamic Simulation ◽

Simulation Study ◽

Molecular Interaction ◽

Dielectric Relaxation Spectroscopy ◽

Microwave Dielectric ◽

Molecular Dynamic Simulation Study

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A potential anticancer dihydropyrimidine derivative and its protein binding mechanism by multispectroscopic, molecular docking and molecular dynamic simulation along with its in-silico toxicity and metabolic profile

European Journal of Pharmaceutical Sciences ◽

10.1016/j.ejps.2020.105686 ◽

2021 ◽

Vol 158 ◽

pp. 105686

Author(s):

Tanveer A. Wani ◽

Nawaf Alsaif ◽

Mohammed M. Alanazi ◽

Ahmed H. Bakheit ◽

Seema Zargar ◽

...

Keyword(s):

Molecular Docking ◽

Protein Binding ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

In Silico ◽

Metabolic Profile ◽

Binding Mechanism ◽

In Silico Toxicity

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Solid-liquid phase equilibrium of nimesulide (Form I) in twelve mono-solvents: Solubility determination, molecular dynamic simulation, solvent effect, model correlation and thermodynamic analysis

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.115480 ◽

2021 ◽

Vol 330 ◽

pp. 115480

Author(s):

Jiao Sha ◽

Di Fan ◽

Jingyi Zhang ◽

Zidan Cao ◽

Yameng Wan ◽

...

Keyword(s):

Phase Equilibrium ◽

Liquid Phase ◽

Solvent Effect ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Effect Model ◽

Solubility Determination ◽

Solid Liquid ◽

Model Correlation

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New insights into octadecylamine-monoacid selective adsorption on KCl/NaCl surface: Experimental and molecular dynamic simulation

Applied Surface Science ◽

10.1016/j.apsusc.2021.149613 ◽

2021 ◽

Vol 554 ◽

pp. 149613

Author(s):

Linjian Wang ◽

Yanxia Xu ◽

Hang Chen ◽

Xingfu Song

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Selective Adsorption

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Solid-liquid equilibrium behavior and thermodynamic analysis of p-aminobenzoic acid using experimental measurement and molecular dynamic simulation

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.114964 ◽

2021 ◽

Vol 323 ◽

pp. 114964

Author(s):

Zongqiu Li ◽

Shengzhe Jia ◽

Ye Gao ◽

Mengwei Wang ◽

Wei Hong ◽

...

Keyword(s):

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Thermodynamic Analysis ◽

Experimental Measurement ◽

Aminobenzoic Acid ◽

Liquid Equilibrium ◽

Equilibrium Behavior ◽

Solid Liquid

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