Show simple item record

dc.contributor.authorHelfand, Eugene
dc.contributor.authorWasserman, Z. R.
dc.contributor.authorWeber, Thomas A.
dc.contributor.authorSkolnick, Jeffrey
dc.contributor.authorRunnels, John H.
dc.date.accessioned2009-02-02T19:21:50Z
dc.date.available2009-02-02T19:21:50Z
dc.date.issued1981-11-01
dc.identifier.citationJournal of Chemical Physics, 1981:75: 4441-4445en
dc.identifier.issn0021-9606
dc.identifier.urihttp://hdl.handle.net/1853/26887
dc.description©1981 American Institute of Physicsen
dc.descriptionThe electronic version of this article is the complete one and can be found online at: http://link.aip.org/link/?JCPSA6/75/4441/1
dc.descriptionDOI:10.1063/1.442610
dc.description.abstractConformational transitions in chain molecules have been shown to proceed via a reaction coordinate which is a localized mode involving rotations about bonds, and also bond angle bending and bond stretching. By investigating the kinetics as a function of the force constants (flexibility) for bond angle bending and bond stretching, the role of the localized mode is probed. The study reported here consists of computer simulations of the Brownian dynamics of chain motions, and of kinetic calculations of rates and reaction modes. The theory accurately predicts the relative effects of force constant variations on transition rates determined by simulation.en
dc.language.isoen_USen
dc.publisherGeorgia Institute of Technologyen
dc.subjectReaction coordinatesen
dc.subjectBond angleen
dc.subjectBond lengthsen
dc.subjectVibrational statesen
dc.subjectComputerized simulationen
dc.subjectEnergy level transitionsen
dc.subjectIsometric transitionsen
dc.subjectKineticsen
dc.subjectMoleculesen
dc.subjectPolymersen
dc.titleThe kinetics of conformational transitions: Effect of variation of bond angle bending and bond stretching force constantsen
dc.typeArticleen
dc.contributor.corporatenameBell Telephone Laboratories
dc.contributor.corporatenameLouisiana State University (Baton Rouge, La.). Dept. of Chemistry
dc.publisher.originalAmerican Institute of Physics


Files in this item

Thumbnail

This item appears in the following Collection(s)

Show simple item record