Self-consistent reaction field calculations on the proton transfer in ammonia-formic acid systems as a model for hydrogen bonding in amino acids in solution

1988 ◽  
Vol 33 (1) ◽  
pp. 41-52 ◽  
Author(s):  
Julia Parra-Mouchet ◽  
Renato R. Contreras ◽  
Arie Aizman
Keyword(s):  
Amino Acids ◽  
Hydrogen Bonding ◽  
Proton Transfer ◽  
Formic Acid ◽  
Reaction Field ◽  
Self Consistent

New Model for Calculation of Solvation Free Energies:  Correction of Self-Consistent Reaction Field Continuum Dielectric Theory for Short-Range Hydrogen-Bonding Effects

1996 ◽  
Vol 100 (28) ◽  
pp. 11775-11788 ◽  
Author(s):  
Bryan Marten ◽  
Kyungsun Kim ◽  
Christian Cortis ◽  
Richard A. Friesner ◽  
Robert B. Murphy ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Short Range ◽  
Free Energies ◽  
New Model ◽  
Reaction Field ◽  
Self Consistent ◽  
Solvation Free Energies

Hydrogen Bonding and Proton Transfer in ionized DNA Base Pairs, Amino Acids and Peptides

2010 ◽  
pp. 219-243 ◽  
Author(s):  
Luis Rodríguez-Santiago ◽  
Marc Noguera ◽  
Joan Bertran ◽  
Mariona Sodupe
Keyword(s):  
Amino Acids ◽  
Hydrogen Bonding ◽  
Proton Transfer ◽  
Base Pairs ◽  
Dna Base ◽  
Dna Base Pairs

Ab initio self-consistent reaction field calculations on amino acids: asparagine zwitterions in polar medium and gas phase

1997 ◽  
Vol 98 (1) ◽  
pp. 5-15 ◽  
Author(s):  
J. T. López Navarrete ◽  
J. Casado ◽  
V. Hernández ◽  
F. J. Ramírez
Keyword(s):  
Amino Acids ◽  
Ab Initio ◽  
Gas Phase ◽  
Polar Medium ◽  
Reaction Field ◽  
Self Consistent
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