scholarly journals A New Semiempirical Approach to Study Ground and Excited States of Metal Complexes in Biological Systems†

2002 ◽  
Vol 106 (33) ◽  
pp. 8038-8046 ◽  
Author(s):  
C. J. Margulis ◽  
V. Guallar ◽  
E. Sim ◽  
R. A. Friesner ◽  
B. J. Berne
Keyword(s):  
Metal Complexes ◽  
Excited States ◽  
Biological Systems ◽  
Semiempirical Approach

Frozen-Orbital Analysis of the Excited States of Metal Complexes in High Symmetry: OhCase

1996 ◽  
Vol 100 (39) ◽  
pp. 15753-15759 ◽  
Author(s):  
Hiromi Nakai ◽  
Hiroshi Morita ◽  
Hiroshi Nakatsuji
Keyword(s):  
Metal Complexes ◽  
Excited States ◽  
High Symmetry ◽  
Orbital Analysis

scholarly journals Quantitative wave function analysis for excited states of transition metal complexes

2018 ◽  
Vol 361 ◽  
pp. 74-97 ◽  
Author(s):  
Sebastian Mai ◽  
Felix Plasser ◽  
Johann Dorn ◽  
Maria Fumanal ◽  
Chantal Daniel ◽  
...  
Keyword(s):  
Wave Function ◽  
Transition Metal ◽  
Metal Complexes ◽  
Excited States ◽  
Transition Metal Complexes ◽  
Function Analysis ◽  
Wave Function Analysis
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