Show simple item record

dc.creatorTyson, Johnen_US
dc.creatorClaassen, Howard H.en_US
dc.creatorKim, Hyunyongen_US
dc.date.accessioned2006-06-15T13:19:12Z
dc.date.available2006-06-15T13:19:12Z
dc.date.issued1970en_US
dc.identifier1970-H-1en_US
dc.identifier.urihttp://hdl.handle.net/1811/8430
dc.descriptionAuthor Institution: Chemistry Division, Argonne National Laboratory; Department of Chemistry, University of Missourien_US
dc.description.abstractFor normal coordinate calculations done by means of a computer, it is suggested that Cartesian coordinates are more convenient than the usual internal coordinates. A calculation procedure for normal coordinates and frequencies is outlined that makes no use of symmetry coordinates, and is therefore particularly convenient for calculations involving isotopic substitutions. The problem of expressing the potential energy of a molecule in terms of a Cartesian basis is discussed in detail for the orbital valency force field model for molecules of the type, $XY_{n}$.en_US
dc.format.extent65404 bytes
dc.format.mimetypeimage/jpeg
dc.language.isoEnglishen_US
dc.publisherOhio State Universityen_US
dc.titleA NEW LOOK AT NORMAL COORDINATE CALCULATIONSen_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