A Classical Point Charge Model Study of System Size Dependence of Oxidation and Reorganization Free Energies in Aqueous Solution†

2008 ◽  
Vol 112 (2) ◽  
pp. 257-269 ◽  
Author(s):  
Regla Ayala ◽  
Michiel Sprik
Keyword(s):  
Aqueous Solution ◽  
Point Charge ◽  
Size Dependence ◽  
System Size ◽  
Free Energies ◽  
Point Charge Model ◽  
Model Study ◽  
Charge Model ◽  
Classical Point

Potential-derived point-charge model study of electrostatic interactions in DNA base components

1984 ◽  
Vol 109 (4) ◽  
pp. 352-358 ◽  
Author(s):  
Naba K. Ray ◽  
Masayuki Shibata ◽  
Giorgio Bolis ◽  
Robert Rein
Keyword(s):  
Point Charge ◽  
Electrostatic Interactions ◽  
Point Charge Model ◽  
Model Study ◽  
Dna Base ◽  
Charge Model

Parametrizing a polarizable force field from ab initio data. I. The fluctuating point charge model

1999 ◽  
Vol 110 (2) ◽  
pp. 741-754 ◽  
Author(s):  
Jay L. Banks ◽  
George A. Kaminski ◽  
Ruhong Zhou ◽  
Daniel T. Mainz ◽  
B. J. Berne ◽  
...  
Keyword(s):  
Force Field ◽  
Ab Initio ◽  
Point Charge ◽  
Point Charge Model ◽  
Polarizable Force Field ◽  
Charge Model

Die paramagnetische Elektronenresonanz (EPR) des Europiums (Eu2+) in Cadmiumfluorid

1968 ◽  
Vol 23 (12) ◽  
pp. 1980-1987 ◽  
Author(s):  
H. J. Gläser ◽  
D. Geist
Keyword(s):  
Point Charge ◽  
Inhomogeneous Broadening ◽  
Epr Spectrum ◽  
Point Charge Model ◽  
Charge Model ◽  
Epr Parameters ◽  
The Eu

The EPR-parameters of Eu2+ substituted for Cd2+ in CdF2 have been measured at 300, 77 and 1,5°K. They are summarized in Table 1. The EPR spectrum is that of an S-state-ion in a cubic environment. As with Eu2+ inCaF2, SrF2 or BaF2 there is in CdF2 a superhyperfine (SHF) -interaction between the Eu2+- and F–-ions, which results mostly in an inhomogeneous broadening of the lines but sometimes in CdF2 in a splitting. There are some indications that the point charge model is not fully correct and that a slight deviation from the cubic environment does exist.

Point Charge Model (PCM)

2000 ◽  
pp. 53-63
Author(s):  
Jacek Mulak ◽  
Zbigneiew Gajek
Keyword(s):  
Point Charge ◽  
Point Charge Model ◽  
Charge Model
Sign in / Sign up

Export Citation Format

Share Document