Show simple item record

dc.creatorStephens, P. J.en_US
dc.creatorJalkanen, K. J.en_US
dc.creatorKawiecki, R. W.en_US
dc.creatorAmos, R. D.en_US
dc.creatorHandy, N. C.en_US
dc.creatorLazzeretti, P.en_US
dc.creatorZanasi, R.en_US
dc.date.accessioned2006-06-15T18:06:17Z
dc.date.available2006-06-15T18:06:17Z
dc.date.issued1987en_US
dc.identifier1987-WH-10en_US
dc.identifier.urihttp://hdl.handle.net/1811/17422
dc.descriptionAuthor Institution: Department of Chemistry, University of Southern California; Department of Theoretical Chemistry, Cambridge University; Dipartimento Di Chimica, Universita Degli Studi Di Modenaen_US
dc.description.abstractCalculations of vibrational rotational strengths using the multiple equations discussed in the previous paper at the SCF level are reported for a range of small, chiral molecules including NHDT, $NH_{2}.NH_{2}$ and trans-dideuteriocyclopropane. The basis set and origin dependence of the results and their accuracy relative to the Hartree-Fock limit are discussed. The relataive accuracies of different equations for rotational strengths are compared. The degree to which the P.RxP, FPC and CO equations are reliable approximations is examined.en_US
dc.format.extent133394 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleCALCULATIONS OF VIBRATIONAL ROTATIONAL STRENGTHSen_US
dc.typearticleen_US


Files in this item

Thumbnail

Items in Knowledge Bank are protected by copyright, with all rights reserved, unless otherwise indicated.

This item appears in the following Collection(s)

Show simple item record