Charge calculations in molecular mechanics 7: Application to polar π systems incorporating nitro, cyano, amino, C=S and thio substituents

1989 ◽  
Vol 3 (2) ◽  
pp. 175-187 ◽  
Author(s):  
Raymond J. Abraham ◽  
Paul E. Smith
Keyword(s):  
Molecular Mechanics ◽  
Charge Calculations

Approaches to charge calculations in molecular mechanics

1982 ◽  
Vol 3 (3) ◽  
pp. 407-416 ◽  
Author(s):  
Raymond J. Abraham ◽  
Lee Griffiths ◽  
Philip Loftus
Keyword(s):  
Molecular Mechanics ◽  
Charge Calculations

The conformational properties of calix[4]arenes 1h NMR and molecular mechanics calculations

1989 ◽  
Vol 86 ◽  
pp. 945-954 ◽  
Author(s):  
F. Bayard ◽  
D. Decoret ◽  
D. Pattou ◽  
J. Royer ◽  
A. Satrallah ◽  
...  
Keyword(s):  
Molecular Mechanics ◽  
1H Nmr ◽  
Molecular Mechanics Calculations ◽  
Conformational Properties
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