Ab initio calculations on large molecules using molecular fragments. Unrestricted Hartree-Fock calculations of the low-lying states of formaldehyde and its radical ions

1974 ◽  
Vol 96 (26) ◽  
pp. 7878-7887 ◽  
Author(s):  
Timothy D. Davis ◽  
Gerald M. Maggiora ◽  
Ralph E. Christoffersen
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Radical Ions ◽  
Molecular Fragments ◽  
Large Molecules ◽  
Hartree Fock

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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