Accurate molecular electrostatic potentials based on modified PRDDO/M wave functions. I. Electrostatic potential derived atomic charges

1997 ◽  
Vol 18 (7) ◽  
pp. 955-969 ◽  
Author(s):  
Dennis S. Marynick
Keyword(s):  
Electrostatic Potential ◽  
Electrostatic Potentials ◽  
Wave Functions ◽  
Atomic Charges ◽  
Molecular Electrostatic Potentials ◽  
M Wave

Derivation of net atomic charges from molecular electrostatic potentials

1990 ◽  
Vol 11 (3) ◽  
pp. 297-310 ◽  
Author(s):  
Robert J. Woods ◽  
Maged Khalil ◽  
Wendy Pell ◽  
Steven H. Moffat ◽  
Vedene H. Smith
Keyword(s):  
Electrostatic Potentials ◽  
Atomic Charges ◽  
Molecular Electrostatic Potentials

Study of the molecular electrostatic potentials of zeolites: the acidity in offretite

1988 ◽  
Vol 92 (15) ◽  
pp. 4456-4461 ◽  
Author(s):  
A. Goursot ◽  
F. Fajula ◽  
C. Daul ◽  
J. Weber
Keyword(s):  
Electrostatic Potentials ◽  
Molecular Electrostatic Potentials
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