Molecular Dynamic Simulation and Experimental Investigation on the Synergistic Mechanism and Synergistic Effect of Oleic Acid Imidazoline and L-cysteine Corrosion Inhibitors

Corrosion Science ◽

10.1016/j.corsci.2021.109414 ◽

2021 ◽

pp. 109414

Author(s):

Yuanqiang Zhu ◽

Qingqing Sun ◽

Yuan Wang ◽

Junlei Tang ◽

Yingying Wang ◽

...

Keyword(s):

Experimental Investigation ◽

Oleic Acid ◽

Synergistic Effect ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Corrosion Inhibitors ◽

Synergistic Mechanism

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Thermophysical Properties of the Binary Mixtures of Iso-octane with Methyl Hexanoate, n-Decane with Methyl Decanoate and Methyl Octanoate: Experimental Investigation and Molecular Dynamic Simulation

Fluid Phase Equilibria ◽

10.1016/j.fluid.2021.113099 ◽

2021 ◽

Vol 544-545 ◽

pp. 113099

Author(s):

Zemin Yuan ◽

Xing Zhang ◽

Yirui Wang ◽

Wenjie Nie ◽

Jianguo Yin ◽

...

Keyword(s):

Experimental Investigation ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Binary Mixtures ◽

Dynamic Simulation ◽

Thermophysical Properties ◽

Methyl Octanoate ◽

Methyl Hexanoate ◽

Methyl Decanoate

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Understanding the Adsorption of Quinoxaline Derivatives as Corrosion Inhibitors for Mild Steel in Acidic Medium: Experimental, Theoretical and Molecular Dynamic Simulation Studies

Journal of Steel Structures & Construction ◽

10.4172/2472-0437.1000111 ◽

2016 ◽

Vol 2 (1) ◽

Cited By ~ 2

Author(s):

Lgaz H ◽

Salghi R

Keyword(s):

Mild Steel ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Acidic Medium ◽

Corrosion Inhibitors ◽

Simulation Studies ◽

Quinoxaline Derivatives

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Experimental investigation and molecular dynamic simulation of thermophysical properties of biodiesel surrogates: The binary mixtures of n-hexadecane with ethyl hexanoate and ethyl heptanoate

Journal of Molecular Liquids ◽

10.1016/j.molliq.2020.113980 ◽

2020 ◽

Vol 317 ◽

pp. 113980

Author(s):

Guanjia Zhao ◽

Zemin Yuan ◽

Xiaona Liu ◽

Penglai Wang ◽

Jianguo Yin ◽

...

Keyword(s):

Experimental Investigation ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Binary Mixtures ◽

Dynamic Simulation ◽

Thermophysical Properties ◽

Ethyl Hexanoate

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Quantification of CH4 adsorption capacity in kerogen-rich reservoir shales: An experimental investigation and molecular dynamic simulation

Energy ◽

10.1016/j.energy.2018.12.087 ◽

2019 ◽

Vol 170 ◽

pp. 411-422 ◽

Cited By ~ 18

Author(s):

Yang Ju ◽

Jian He ◽

Elliot Chang ◽

Liange Zheng

Keyword(s):

Experimental Investigation ◽

Molecular Dynamic Simulation ◽

Adsorption Capacity ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Ch4 Adsorption

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Investigation of some phenolic-type antioxidants compounds extracted from biodiesel as green natural corrosion inhibitors; DFT and molecular dynamic simulation, comparative study

10.1063/1.5138584 ◽

2019 ◽

Author(s):

Djamel Daouda ◽

Tahar Douadi ◽

Djillali Ghobrini ◽

Nacéra Lahouel ◽

Hanane Hamani

Keyword(s):

Comparative Study ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Corrosion Inhibitors ◽

Natural Corrosion

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Experimental Investigation and Molecular Dynamic Simulation of Tannic Acid as an Eco-friendly Inhibitor for Calcium carbonate Scale

Journal of Molecular Liquids ◽

10.1016/j.molliq.2021.117225 ◽

2021 ◽

pp. 117225

Author(s):

Mohamed El housse ◽

Abdallah Hadfi ◽

Ilham Karmal ◽

Brahim EL Ibrahimi ◽

Said Ben-aazza ◽

...

Keyword(s):

Experimental Investigation ◽

Calcium Carbonate ◽

Molecular Dynamic Simulation ◽

Molecular Dynamic ◽

Dynamic Simulation ◽

Tannic Acid ◽

Calcium Carbonate Scale

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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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