Reaction field calculation of the spectral shifts of indole

1993 ◽  
Vol 97 (18) ◽  
pp. 4608-4613 ◽  
Author(s):  
C. F. Chabalowski ◽  
D. R. Garmer ◽  
J. O. Jensen ◽  
M. Krauss
Keyword(s):  
Field Calculation ◽  
Reaction Field ◽  
Spectral Shifts

Assessment of the importance of the solvent in the calculation of condensed Fukui function: a self-consistent reaction field calculation study

1999 ◽  
Vol 308 (3-4) ◽  
pp. 223-228 ◽  
Author(s):  
D. Sivanesan ◽  
R. Amutha ◽  
V. Subramanian ◽  
B.U. Nair ◽  
T. Ramasami
Keyword(s):  
Fukui Function ◽  
Field Calculation ◽  
Reaction Field ◽  
Self Consistent

scholarly journals Reaction-field calculation for the quantum Potts model

1984 ◽  
Vol 17 (36) ◽  
pp. 6811-6818 ◽  
Author(s):  
R Dekeyser ◽  
A Maritan ◽  
A L Stella
Keyword(s):  
Potts Model ◽  
Field Calculation ◽  
Reaction Field

Notizen: A Self Consistent Reaction Field Calculation of the Fluorobenzonitrile Radical Ions

1986 ◽  
Vol 41 (11) ◽  
pp. 1339-1340
Author(s):  
Hugo O. Villar ◽  
Eduardo A. Castro
Keyword(s):  
Field Study ◽  
Field Calculation ◽  
Radical Ions ◽  
Reaction Field ◽  
Self Consistent

A self consistent reaction field study has been carried out at the MINDO/3 level, in order to explain the decomposition of the species in solution.

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