scholarly journals Vertical Electronic Excitations in Solution with the EOM-CCSD Method Combined with a Polarizable Explicit/Implicit Solvent Model

2013 ◽  
Vol 9 (7) ◽  
pp. 3035-3042 ◽  
Author(s):  
Marco Caricato ◽  
Filippo Lipparini ◽  
Giovanni Scalmani ◽  
Chiara Cappelli ◽  
Vincenzo Barone
Keyword(s):  
Implicit Solvent ◽  
Electronic Excitations ◽  
Implicit Solvent Model ◽  
Solvent Model ◽  
Ccsd Method

scholarly journals Prediction of Protein Loop Conformations Using the AGBNP Implicit Solvent Model and Torsion Angle Sampling

2008 ◽  
Vol 4 (5) ◽  
pp. 855-868 ◽  
Author(s):  
Anthony K. Felts ◽  
Emilio Gallicchio ◽  
Dmitriy Chekmarev ◽  
Kristina A. Paris ◽  
Richard A. Friesner ◽  
...  
Keyword(s):  
Torsion Angle ◽  
Implicit Solvent ◽  
Implicit Solvent Model ◽  
Solvent Model ◽  
Loop Conformations

scholarly journals A Novel Implicit Solvent Model for Simulating the Molecular Dynamics of RNA

2013 ◽  
Vol 105 (5) ◽  
pp. 1248-1257 ◽  
Author(s):  
Yufeng Liu ◽  
Esmael Haddadian ◽  
Tobin R. Sosnick ◽  
Karl F. Freed ◽  
Haipeng Gong
Keyword(s):  
Molecular Dynamics ◽  
Implicit Solvent ◽  
Implicit Solvent Model ◽  
Solvent Model

scholarly journals An Implicit Solvent Model for SCC-DFTB with Charge-Dependent Radii

2010 ◽  
Vol 6 (8) ◽  
pp. 2303-2314 ◽  
Author(s):  
Guanhua Hou ◽  
Xiao Zhu ◽  
Qiang Cui
Keyword(s):  
Implicit Solvent ◽  
Implicit Solvent Model ◽  
Solvent Model
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