Analysis of an energy minimization method for locating transition states on potential energy hypersurfaces
dc.contributor.author | Rothman, Michael J. | en_US |
dc.contributor.author | Lohr, Jr. , Lawrence L. | en_US |
dc.date.accessioned | 2006-04-07T17:26:49Z | |
dc.date.available | 2006-04-07T17:26:49Z | |
dc.date.issued | 1980-03-01 | en_US |
dc.identifier.citation | Rothman, 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.uri | http://www.sciencedirect.com/science/article/B6TFN-44HYWYY-F1/2/28aee4bac6d0b002d8c9263622d3f4b7 | en_US |
dc.identifier.uri | https://hdl.handle.net/2027.42/23310 | |
dc.description.abstract | Conditions 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.extent | 433739 bytes | |
dc.format.extent | 3118 bytes | |
dc.format.mimetype | application/pdf | |
dc.format.mimetype | text/plain | |
dc.language.iso | en_US | |
dc.publisher | Elsevier | en_US |
dc.title | Analysis of an energy minimization method for locating transition states on potential energy hypersurfaces | en_US |
dc.type | Article | en_US |
dc.rights.robots | IndexNoFollow | en_US |
dc.subject.hlbsecondlevel | Materials Science and Engineering | en_US |
dc.subject.hlbsecondlevel | Chemistry | en_US |
dc.subject.hlbsecondlevel | Chemical Engineering | en_US |
dc.subject.hlbtoplevel | Science | en_US |
dc.subject.hlbtoplevel | Engineering | en_US |
dc.description.peerreviewed | Peer Reviewed | en_US |
dc.contributor.affiliationum | Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, USA | en_US |
dc.contributor.affiliationum | Department of Chemistry, University of Michigan, Ann Arbor, Michigan 48109, USA | en_US |
dc.description.bitstreamurl | http://deepblue.lib.umich.edu/bitstream/2027.42/23310/1/0000248.pdf | en_US |
dc.identifier.doi | http://dx.doi.org/10.1016/0009-2614(80)85361-9 | en_US |
dc.identifier.source | Chemical Physics Letters | en_US |
dc.owningcollname | Interdisciplinary and Peer-Reviewed |
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