title: Association of frustrated phosphine-borane pairs in toluene: molecular dynamics simulations.
abstract: Explicit solvent molecular dynamics simulations of the ((t)Bu)(3)P/B(C(6)F(5))(3) pair in toluene allowed the estimation of the degree of intermolecular association and the population of encounter complex states in solution phase.
authors.affiliation: Institute of Organic Chemistry, Research Centre for Natural Sciences, Hungarian Academy of Sciences, H-1025 Budapest, Pusztaszeri út 59-67, Hungary.
authors.forename: Imre
authors.initials: I
authors.lastname: Bakó
authors.forename: András
authors.initials: A
authors.lastname: Stirling
authors.forename: Szabolcs
authors.initials: S
authors.lastname: Bálint
authors.forename: Imre
authors.initials: I
authors.lastname: Pápai