An approximate expression of the electrostatic molecular potential in terms of completely transferable group contributions

1977 ◽  
Vol 99 (14) ◽  
pp. 4546-4554 ◽  
Author(s):  
Rosanna Bonaccorsi ◽  
Eolo Scrocco ◽  
Jacopo Tomasi
Keyword(s):  
Approximate Expression ◽  
Group Contributions ◽  
Molecular Potential ◽  
Electrostatic Molecular Potential

An approximate expression of the electrostatic molecular potential for benzenic compounds

1979 ◽  
Vol 53 (3) ◽  
pp. 215-220 ◽  
Author(s):  
Alessandro Agresti ◽  
Rosanna Bonaccorsi ◽  
Jacopo Tomasi
Keyword(s):  
Approximate Expression ◽  
Molecular Potential ◽  
Electrostatic Molecular Potential

Group contributions to the electrostatic molecular potential

1976 ◽  
Vol 98 (14) ◽  
pp. 4049-4054 ◽  
Author(s):  
Rosanna Bonaccorsi ◽  
Eolo Scrocco ◽  
Jacopo Tomasi
Keyword(s):  
Group Contributions ◽  
Molecular Potential ◽  
Electrostatic Molecular Potential

Multipole expansions of the electrostatic molecular potential

1974 ◽  
Vol 33 (2) ◽  
pp. 97-103 ◽  
Author(s):  
Rosanna Bonaccorsi ◽  
Renzo Cimiraglia ◽  
Eolo Scrocco ◽  
Jacopo Tomasi
Keyword(s):  
Molecular Potential ◽  
Electrostatic Molecular Potential ◽  
Multipole Expansions

AB-INITIO MODPOT/VRDDO/MERGE CALCULATIONS ON LARGE BIOMEDICAL MOLECULES AND ELECTROSTATIC MOLECULAR POTENTIAL CONTOUR MAPS

1981 ◽  
Vol 367 (1 Quantum Chemi) ◽  
pp. 452-477 ◽  
Author(s):  
Joyce J. Kaufman ◽  
P. C. Hariharan ◽  
Herbert E. Popkie ◽  
Carlo Petrongolo
Keyword(s):  
Ab Initio ◽  
Contour Maps ◽  
Molecular Potential ◽  
Electrostatic Molecular Potential
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