Theoretical Prediction of the Abraham Hydrogen Bond Acidity and Basicity Factors from a Reaction Field Method

2005 ◽  
Vol 45 (2) ◽  
pp. 327-333 ◽  
Author(s):  
Ivo Cacelli ◽  
Silvio Campanile ◽  
Alessandro Giolitti ◽  
Dafne Molin
Keyword(s):  
Hydrogen Bond ◽  
Theoretical Prediction ◽  
Field Method ◽  
Reaction Field ◽  
Acidity And Basicity ◽  
Hydrogen Bond Acidity

scholarly journals Theoretical Scales of Hydrogen Bond Acidity and Basicity for Application in QSAR/QSPR Studies and Drug Design. Partitioning of Aliphatic Compounds.

ChemInform ◽  
2004 ◽  
Vol 35 (31) ◽  
Author(s):  
Alexander A. Oliferenko ◽  
Polina V. Oliferenko ◽  
Jonathan G. Huddleston ◽  
Robin D. Rogers ◽  
Vladimir A. Palyulin ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Drug Design ◽  
Aliphatic Compounds ◽  
Acidity And Basicity ◽  
Hydrogen Bond Acidity

Theoretical Scales of Hydrogen Bond Acidity and Basicity for Application in QSAR/QSPR Studies and Drug Design. Partitioning of Aliphatic Compounds

2004 ◽  
Vol 44 (3) ◽  
pp. 1042-1055 ◽  
Author(s):  
Alexander A. Oliferenko ◽  
Polina V. Oliferenko ◽  
Jonathan G. Huddleston ◽  
Robin D. Rogers ◽  
Vladimir A. Palyulin ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Drug Design ◽  
Aliphatic Compounds ◽  
Acidity And Basicity ◽  
Hydrogen Bond Acidity

A multiconfigurational self‐consistent reaction‐field method

1988 ◽  
Vol 89 (5) ◽  
pp. 3086-3095 ◽  
Author(s):  
Kurt V. Mikkelsen ◽  
Hans Ågren ◽  
Hans Jo/rgen Aa. Jensen ◽  
Trygve Helgaker
Keyword(s):  
Field Method ◽  
Reaction Field ◽  
Self Consistent
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