Overview of Multiscale Molecular Modeling and Simulation of Silica Aerogels

Industrial & Engineering Chemistry Research ◽

10.1021/acs.iecr.9b03781 ◽

2019 ◽

Vol 58 (41) ◽

pp. 18905-18929 ◽

Author(s):

Pedro Maximiano ◽

Luísa Durães ◽

Pedro Simões

Keyword(s):

Molecular Modeling ◽

Modeling And Simulation ◽

Silica Aerogels

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Molecular modeling and simulation analysis of glaucoma pathway

Network Modeling Analysis in Health Informatics and Bioinformatics ◽

10.1007/s13721-016-0136-3 ◽

2016 ◽

Vol 5 (1) ◽

Author(s):

Jyoti Kant Choudhari ◽

Jyotsna Choubey ◽

Ashish Patel ◽

Mukesh Kumar Verma

Keyword(s):

Molecular Modeling ◽

Modeling And Simulation ◽

Simulation Analysis

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Molecular Modeling and Simulation of Vapor–Liquid Equilibria of Ethylene Oxide, Ethylene Glycol, and Water as Well as their Binary Mixtures

Industrial & Engineering Chemistry Research ◽

10.1021/ie300248z ◽

2012 ◽

Vol 51 (21) ◽

pp. 7428-7440 ◽

Author(s):

Y.-L. Huang ◽

T. Merker ◽

M. Heilig ◽

H. Hasse ◽

J. Vrabec

Keyword(s):

Molecular Modeling ◽

Ethylene Oxide ◽

Ethylene Glycol ◽

Modeling And Simulation ◽

Binary Mixtures ◽

Vapor Liquid Equilibria ◽

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Molecular Modeling and Simulation

Carbon Nanotubes ◽

10.1201/b18086-5 ◽

2015 ◽

pp. 193-236

Keyword(s):

Molecular Modeling ◽

Modeling And Simulation

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Molecular Modeling and Simulation

10.1007/978-0-387-22464-0 ◽

2002 ◽

Author(s):

Tamar Schlick

Keyword(s):

Molecular Modeling ◽

Modeling And Simulation

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Molecular Modeling and Simulation of G-Quadruplexes and Quadruplex-Ligand Complexes

Methods in Molecular Biology - G-Quadruplex DNA ◽

10.1007/978-1-59745-363-9_2 ◽

2009 ◽

pp. 17-37 ◽

Author(s):

Shozeb Haider ◽

Stephen Neidle

Keyword(s):

Molecular Modeling ◽

Modeling And Simulation

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Molecular Modeling and Simulation of Membrane Transport Proteins

Medicinal Chemistry and Drug Design ◽

10.5772/38529 ◽

2012 ◽

Author(s):

Andreas Jurik ◽

Freya Klepsch ◽

Barbara Zdrazil

Keyword(s):

Molecular Modeling ◽

Modeling And Simulation ◽

Membrane Transport ◽

Transport Proteins ◽

Membrane Transport Proteins

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Molecular modeling and simulation of some efficient charge transfer materials using density functional theory

Materials Today Communications ◽

10.1016/j.mtcomm.2019.100788 ◽

2020 ◽

Vol 22 ◽

pp. 100788

Author(s):

Shamoon Ahmad Siddiqui ◽

Mohammad Margub Abdullah

Keyword(s):

Density Functional Theory ◽

Charge Transfer ◽

Molecular Modeling ◽

Modeling And Simulation ◽

Density Functional ◽

Functional Theory ◽

Efficient Charge ◽

Charge Transfer Materials

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Molecular modeling and simulation of vapor–liquid equilibrium of the refrigerant R152a and its mixture R152a+R32

Fluid Phase Equilibria ◽

10.1016/j.fluid.2015.03.019 ◽

2015 ◽

Vol 394 ◽

pp. 93-100 ◽

Author(s):

Zhi Yang ◽

Maoqiong Gong ◽

Xueqiang Dong ◽

Xiaodong Li ◽

Jianfeng Wu

Keyword(s):

Molecular Modeling ◽

Modeling And Simulation ◽

Liquid Equilibrium ◽

Vapor Liquid Equilibrium ◽

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Molecular Modeling and Simulation of a Synthetic Peptide Channel

Biophysical Journal ◽

10.1016/j.bpj.2010.12.682 ◽

2011 ◽

Vol 100 (3) ◽

pp. 87a

Author(s):

Jian Gao ◽

John Tomich ◽

Jianhan Chen

Keyword(s):

Molecular Modeling ◽

Modeling And Simulation ◽

Synthetic Peptide

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Molecular Modeling and Simulation of Conjugated Polymer Oligomers: Ground and Excited State Chain Dynamics of PPV in the Gas Phase

The Journal of Physical Chemistry B ◽

10.1021/jp711848q ◽

2008 ◽

Vol 112 (16) ◽

pp. 4983-4993 ◽

Author(s):

Fabio Sterpone ◽

Peter J. Rossky

Keyword(s):

Excited State ◽

Molecular Modeling ◽

Modeling And Simulation ◽

Gas Phase ◽

Conjugated Polymer ◽

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