title: Bond paths and van der Waals interactions in orpiment, As2S3.
abstract: The calculated electron density distribution for orpiment, As(2)S(3), reveals that As-S, S-S, and As-As bond paths are associated with the experimental interlayer directed bonded interactions detected in a combined infrared and Raman study. The successful modeling of the infrared- and Raman-determined interlayer bonded interactions together with bond paths and the structuralization of a variety of inorganic molecules in terms of "key-lock" bond path mainstays support the argument that van der Waals forces in inorganic molecular crystals are directional.
authors.affiliation: Department of Geosciences, Virginia Tech, Blacksburg, Virginia 24061, USA.
authors.forename: G V
authors.initials: GV
authors.lastname: Gibbs
authors.forename: A F
authors.initials: AF
authors.lastname: Wallace
authors.forename: R
authors.initials: R
authors.lastname: Zallen
authors.forename: R T
authors.initials: RT
authors.lastname: Downs
authors.forename: N L
authors.initials: NL
authors.lastname: Ross
authors.forename: D F
authors.initials: DF
authors.lastname: Cox
authors.forename: K M
authors.initials: KM
authors.lastname: Rosso