Ab initio calculations on large molecules using molecular fragments. Configuration interaction studies on the ground and lower excited states of N-methylcarbazole

1978 ◽  
Vol 100 (5) ◽  
pp. 1371-1378 ◽  
Author(s):  
Deni Murk ◽  
Larry E. Nitzsche ◽  
Ralph E. Christoffersen
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Excited States ◽  
Configuration Interaction ◽  
Molecular Fragments ◽  
Large Molecules ◽  
Interaction Studies

Ab Initio Calculations on Large Molecules Using Molecular Fragments. Hydrocarbon Characterizations

1971 ◽  
Vol 54 (1) ◽  
pp. 239-252 ◽  
Author(s):  
Ralph E. Christoffersen ◽  
Donald W. Genson ◽  
Gerald M. Maggiora
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Molecular Fragments ◽  
Large Molecules

Ab initio calculations on large molecules using molecular fragments. Lincomycin model studies

1974 ◽  
Vol 17 (6) ◽  
pp. 583-590 ◽  
Author(s):  
Lester L. Shipman ◽  
Ralph E. Christoffersen ◽  
B. Vernon Cheney
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Molecular Fragments ◽  
Large Molecules ◽  
Model Studies
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