Interaction of Water with the Model Ionic Liquid [bmim][BF4]: Molecular Dynamics Simulations and Comparison with NMR Data

2008 ◽  
Vol 112 (26) ◽  
pp. 7826-7836 ◽  
Author(s):  
Margherita Moreno ◽  
Franca Castiglione ◽  
Andrea Mele ◽  
Carlo Pasqui ◽  
Guido Raos
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Nmr Data ◽  
Dynamics Simulations

Interfacial Polarization and Ionic Structure at the Ionic Liquid–Metal Interface Studied by Vibrational Spectroscopy and Molecular Dynamics Simulations

2021 ◽  
Vol 125 (10) ◽  
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Author(s):  
Matthew J. Voegtle ◽  
Tanmoy Pal ◽  
Anuj K. Pennathur ◽  
Sevan Menachekanian ◽  
Joel G. Patrow ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Liquid Metal ◽  
Molecular Dynamics Simulations ◽  
Vibrational Spectroscopy ◽  
Interfacial Polarization ◽  
Ionic Structure ◽  
Metal Interface ◽  
Dynamics Simulations

Understanding Structural and Transport Properties of Dissolved Li 2 S 8 in Ionic Liquid Electrolytes through Molecular Dynamics Simulations

ChemPhysChem ◽  
2021 ◽  
Vol 22 (4) ◽  
pp. 419-429
Author(s):  
Tianyuan Hu ◽  
Yanlei Wang ◽  
Feng Huo ◽  
Hongyan He ◽  
Suojiang Zhang
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Transport Properties ◽  
Liquid Electrolytes ◽  
Dynamics Simulations

Solvent behavior of an ionic liquid set around a cellulose Iβ crystallite model through molecular dynamics simulations

Cellulose ◽  
2021 ◽  
Author(s):  
Joel A. Sánchez-Badillo ◽  
Marco Gallo ◽  
José G. Rutiaga-Quiñones ◽  
Pablo López-Albarrán
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Cellulose Iβ ◽  
Dynamics Simulations

Nanostructural Organization in Acetonitrile/Ionic Liquid Mixtures: Molecular Dynamics Simulations and Optical Kerr Effect Spectroscopy

ChemPhysChem ◽  
2012 ◽  
Vol 13 (7) ◽  
pp. 1687-1700 ◽  
Author(s):  
Fehmi Bardak ◽  
Dong Xiao ◽  
Larry G. Hines ◽  
Pillhun Son ◽  
Richard A. Bartsch ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Kerr Effect ◽  
Liquid Mixtures ◽  
Optical Kerr Effect ◽  
Dynamics Simulations ◽  
Nanostructural Organization

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2018 ◽  
Vol 20 (18) ◽  
pp. 13075-13083 ◽  
Author(s):  
Yasuyuki Yokota ◽  
Hiroo Miyamoto ◽  
Akihito Imanishi ◽  
Jun Takeya ◽  
Kouji Inagaki ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Organic Semiconductors ◽  
Organic Semiconductor ◽  
Dynamic Properties ◽  
Semiconductor Interfaces ◽  
Dynamics Simulations

Structural and dynamic properties of an ionic liquid are compared on several organic semiconductors.

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2020 ◽  
Vol 301 ◽  
pp. 112475 ◽  
Author(s):  
Saumen Saha ◽  
Achinta Sannigrahi ◽  
Krishnananda Chattopadhyay ◽  
Joydeep Chowdhury
Keyword(s):  
Molecular Dynamics ◽  
Ionic Liquid ◽  
Molecular Dynamics Simulations ◽  
Dihydrogen Phosphate ◽  
Dynamics Simulations
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