title: Quantum mechanical SCF/CI studies as probes of macromolecular structure: methodological aspects of spectral comparisons.
authors.affiliation: Upjohn Company, Kalamazoo, Michigan 49001.
authors.forename: J D
authors.initials: JD
authors.lastname: Petke
authors.forename: G M
authors.initials: GM
authors.lastname: Maggiora
authors.forename: R E
authors.initials: RE
authors.lastname: Christoffersen
mesh_terms: D003596:Cytosine; D046911:Macromolecular Substances; D008968:Molecular Conformation; D011487:Protein Conformation; D011789:Quantum Theory; D013053:Spectrophotometry
chemical_list: D046911:Macromolecular Substances; D003596:Cytosine