scholarly journals An integrated molecular dynamics and experimental study of higher order human telomeric quadruplexes

Biopolymers ◽  
2010 ◽  
pp. NA-NA ◽  
Author(s):  
Luigi Petraccone ◽  
Nichola Garbett ◽  
Jonathan B. Chaires ◽  
John O. Trent
Keyword(s):  
Molecular Dynamics ◽  
Experimental Study ◽  
Higher Order

scholarly journals Higher-Order Extended Lagrangian Born–Oppenheimer Molecular Dynamics for Classical Polarizable Models

2018 ◽  
Vol 14 (2) ◽  
pp. 499-511 ◽  
Author(s):  
Alex Albaugh ◽  
Teresa Head-Gordon ◽  
Anders M. N. Niklasson
Keyword(s):  
Molecular Dynamics ◽  
Higher Order

Electrolyte solvents for high voltage lithium ion batteries: ion correlation and specific anion effects in adiponitrile

2018 ◽  
Vol 20 (40) ◽  
pp. 25701-25715 ◽  
Author(s):  
Anand Narayanan Kirshnamoorthy ◽  
Kristina Oldiges ◽  
Martin Winter ◽  
Andreas Heuer ◽  
Isidora Cekic-Laskovic ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Experimental Study ◽  
Lithium Ion Batteries ◽  
High Voltage ◽  
Quantum Chemical ◽  
Lithium Ion

Combined atomistic molecular dynamics, quantum chemical, and experimental study regarding the properties of two lithium conducting salts in high voltage electrolyte solvent adiponitrile.

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