title: Predicting molecules--more realism, please!
authors.affiliation: Department of Chemistry and Chemical Biology, Cornell University, Baker Laboratory, Ithaca, NY 14853, USA. rh34@cornell.edu
authors.forename: Roald
authors.initials: R
authors.lastname: Hoffmann
authors.forename: Paul von Ragué
authors.initials: Pv
authors.lastname: Schleyer
authors.forename: Henry F
authors.initials: HF
authors.lastname: Schaefer