The use of the electrostatic molecular potential in quantum pharmacology. I. Ab initio results

2009 ◽  
Vol 9 (S2) ◽  
pp. 181-190 ◽  
Author(s):  
Carlo Petrongolo ◽  
Jacopo Tomasi
Keyword(s):  
Ab Initio ◽  
Molecular Potential ◽  
Electrostatic Molecular Potential

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

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
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