LiTFSI Structure and Transport in Ethylene Carbonate from Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/jp056249q ◽

2006 ◽

Vol 110 (10) ◽

pp. 4971-4977 ◽

Author(s):

Oleg Borodin ◽

Grant D. Smith

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Ethylene Carbonate ◽

Dynamics Simulations

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Dielectric Properties of Ethylene Carbonate and Propylene Carbonate Using Molecular Dynamics Simulations

ECS Meeting Abstracts ◽

10.1149/ma2015-02/2/181 ◽

2015 ◽

Keyword(s):

Molecular Dynamics ◽

Dielectric Properties ◽

Molecular Dynamics Simulations ◽

Propylene Carbonate ◽

Ethylene Carbonate ◽

Dynamics Simulations

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Solvation and Dynamics of Sodium and Potassium in Ethylene Carbonate from ab Initio Molecular Dynamics Simulations

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.7b06457 ◽

2017 ◽

Vol 121 (40) ◽

pp. 21913-21920 ◽

Author(s):

Tuan Anh Pham ◽

Kyoung E. Kweon ◽

Amit Samanta ◽

Vincenzo Lordi ◽

John E. Pask

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ethylene Carbonate ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations ◽

Sodium And Potassium

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Discovering chemical reaction pathways using accelerated molecular dynamics simulations and network analysis tools – Application to oxidation induced decomposition of ethylene carbonate

Chemical Physics Letters ◽

10.1016/j.cplett.2021.138439 ◽

2021 ◽

Vol 770 ◽

pp. 138439

Author(s):

Hirotoshi Hirai ◽

Ryosuke Jinnouchi

Keyword(s):

Molecular Dynamics ◽

Network Analysis ◽

Molecular Dynamics Simulations ◽

Chemical Reaction ◽

Ethylene Carbonate ◽

Reaction Pathways ◽

Accelerated Molecular Dynamics ◽

Analysis Tools ◽

Induced Decomposition ◽

Dynamics Simulations

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Dielectric Properties of Ethylene Carbonate and Propylene Carbonate Using Molecular Dynamics Simulations

ECS Transactions ◽

10.1149/06901.0107ecst ◽

2015 ◽

Vol 69 (1) ◽

pp. 107-111 ◽

Author(s):

X. You ◽

M. Chaudhari ◽

S. Rempe ◽

L. R. Pratt

Keyword(s):

Molecular Dynamics ◽

Dielectric Properties ◽

Molecular Dynamics Simulations ◽

Propylene Carbonate ◽

Ethylene Carbonate ◽

Dynamics Simulations

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Dielectric Relaxation of Ethylene Carbonate and Propylene Carbonate from Molecular Dynamics Simulations

The Journal of Physical Chemistry B ◽

10.1021/acs.jpcb.5b09561 ◽

2015 ◽

Vol 120 (8) ◽

pp. 1849-1853 ◽

Author(s):

Xinli You ◽

Mangesh I. Chaudhari ◽

Susan B. Rempe ◽

Lawrence R. Pratt

Keyword(s):

Molecular Dynamics ◽

Dielectric Relaxation ◽

Molecular Dynamics Simulations ◽

Propylene Carbonate ◽

Ethylene Carbonate ◽

Dynamics Simulations

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Structure of phosphorus-selenium glasses: results from ab initio molecular dynamics simulations

Molecular Physics ◽

10.1080/002689700162045 ◽

2000 ◽

Vol 98 (11) ◽

pp. 701-707

Author(s):

Alessandro Sergi, Mauro Ferrario, Francesco Bu

Keyword(s):

Molecular Dynamics ◽

Ab Initio ◽

Molecular Dynamics Simulations ◽

Ab Initio Molecular Dynamics ◽

Dynamics Simulations

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Tracer diffusion in perfectly aligned liquid crystalline phases Kinetic theory and molecular dynamics simulations

Molecular Physics ◽

10.1080/00268979709482789 ◽

1997 ◽

Vol 91 (6) ◽

pp. 993-1003 ◽

Author(s):

ANJALI KHARE ◽

DAVID KOFKE ◽

GLENN EVANS

Keyword(s):

Molecular Dynamics ◽

Kinetic Theory ◽

Molecular Dynamics Simulations ◽

Liquid Crystalline ◽

Tracer Diffusion ◽

Crystalline Phases ◽

Liquid Crystalline Phases ◽

Dynamics Simulations

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ERRATUM Molecular dynamics simulations of liquid crystal phases using atomistic potentials

Molecular Physics ◽

10.1080/002689798167430 ◽

1998 ◽

Vol 95 (1) ◽

pp. 121-121

Author(s):

CARL MCBRIDE MARK R. WILSON JUDITH A. K.

Keyword(s):

Molecular Dynamics ◽

Liquid Crystal ◽

Molecular Dynamics Simulations ◽

Crystal Phases ◽

Dynamics Simulations ◽

Liquid Crystal Phases

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Nonequilibrium Molecular Dynamics Simulations of 3-Methylhexane: The Effect of Inter- and Intramolecular Potential Models on Simulated Viscosity

The Journal of Physical Chemistry A ◽

10.1021/jp971476g ◽

1997 ◽

Vol 101 (27) ◽

pp. 5026-5026

Author(s):

Maija Lahtela ◽

Tapani A. Pakkanen ◽

Richard L. Rowley

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Nonequilibrium Molecular Dynamics ◽

Potential Models ◽

Dynamics Simulations

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Assessment of all-atom potentials for modeling membranes: molecular dynamics simulations of solid and liquid alkanes and crystals of phospholipid fragments

Journal de Chimie Physique ◽

10.1051/jcp/1997941482 ◽

1997 ◽

Vol 94 ◽

pp. 1482-1502 ◽

Author(s):

DJ Tobias ◽

K Tu ◽

ML Klein

Keyword(s):

Molecular Dynamics ◽

Molecular Dynamics Simulations ◽

Dynamics Simulations ◽

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