title: NBO 6.0: natural bond orbital analysis program.
abstract: We describe principal features of the newly released version, NBO 6.0, of the natural bond orbital analysis program, that provides novel "link-free" interactivity with host electronic structure systems, improved search algorithms and labeling conventions for a broader range of chemical species, and new analysis options that significantly extend the range of chemical applications. We sketch the motivation and implementation of program changes and describe newer analysis options with illustrative applications.
authors.affiliation: Department of Chemistry and Physics, Indiana State University, Terre Haute, Indiana 47809, USA.
authors.forename: Eric D
authors.initials: ED
authors.lastname: Glendening
authors.forename: Clark R
authors.initials: CR
authors.lastname: Landis
authors.forename: Frank
authors.initials: F
authors.lastname: Weinhold
mesh_terms: D000465:Algorithms; D011789:Quantum Theory; D012984:Software