title: Density functional theory studies of the [2]rotaxane component of the Stoddart-heath molecular switch.
authors.affiliation: Materials and Process Simulation Center, Beckman Institute (139-74), California Institute of Technology, Pasadena, California 91125, USA.
authors.forename: Yun Hee
authors.initials: YH
authors.lastname: Jang
authors.forename: Sungu
authors.initials: S
authors.lastname: Hwang
authors.forename: Yong-Hoon
authors.initials: YH
authors.lastname: Kim
authors.forename: Seung Soon
authors.initials: SS
authors.lastname: Jang
authors.forename: William A
authors.initials: WA
authors.lastname: Goddard