View Item 

Show simple item record

Analysis of an energy minimization method for locating transition states on potential energy hypersurfaces

dc.contributor.authorRothman, Michael J.en_US
dc.contributor.authorLohr, Jr. , Lawrence L.en_US
dc.date.accessioned2006-04-07T17:26:49Z
dc.date.available2006-04-07T17:26:49Z
dc.date.issued1980-03-01en_US
dc.identifier.citationRothman, Michael J., Lohr, Jr., Lawrence L. (1980/03/01)."Analysis of an energy minimization method for locating transition states on potential energy hypersurfaces." Chemical Physics Letters 70(2): 405-409. <http://hdl.handle.net/2027.42/23310>en_US
dc.identifier.urihttp://www.sciencedirect.com/science/article/B6TFN-44HYWYY-F1/2/28aee4bac6d0b002d8c9263622d3f4b7en_US
dc.identifier.urihttps://hdl.handle.net/2027.42/23310
dc.description.abstractConditions are given for the successful search for a transition state by an energy minimization method. Proofs for these guidelines are presented. Advantages of this method are discussed, including its use in establishing lower bounds to transition state energies. Comparisons are made with other searching methods.en_US
dc.format.extent433739 bytes
dc.format.extent3118 bytes
dc.format.mimetypeapplication/pdf
dc.format.mimetypetext/plain
dc.language.isoen_US
dc.publisherElsevieren_US
dc.titleAnalysis of an energy minimization method for locating transition states on potential energy hypersurfacesen_US
dc.typeArticleen_US
dc.rights.robotsIndexNoFollowen_US
dc.subject.hlbsecondlevelMaterials Science and Engineeringen_US
dc.subject.hlbsecondlevelChemistryen_US
dc.subject.hlbsecondlevelChemical Engineeringen_US
dc.subject.hlbtoplevelScienceen_US
dc.subject.hlbtoplevelEngineeringen_US
dc.description.peerreviewedPeer Revieweden_US
dc.contributor.affiliationumDepartment of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, USAen_US
dc.contributor.affiliationumDepartment of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, USAen_US
dc.description.bitstreamurlhttp://deepblue.lib.umich.edu/bitstream/2027.42/23310/1/0000248.pdfen_US
dc.identifier.doihttp://dx.doi.org/10.1016/0009-2614(80)85361-9en_US
dc.identifier.sourceChemical Physics Lettersen_US
dc.owningcollnameInterdisciplinary and Peer-Reviewed


Files in this item

Name:
0000248.pdf
Size:
423.5KB
Format:
PDF
View/Open

Show simple item record

Remediation of Harmful Language

The University of Michigan Library aims to describe library materials in a way that respects the people and communities who create, use, and are represented in our collections. Report harmful or offensive language in catalog records, finding aids, or elsewhere in our collections anonymously through our metadata feedback form. More information at Remediation of Harmful Language.

Accessibility

If you are unable to use this file in its current format, please select the Contact Us link and we can modify it to make it more accessible to you.