Gradient line reaction paths for hindered internal rotation in H2BNH2 and inversion in PF3 Minyaev, RM, Wales, DJ and Walsh, Tiffany 1997, Gradient line reaction paths for hindered internal rotation in H2BNH2 and inversion in PF3, Journal of Physical Chemistry A, vol. 101, no. 7, pp. 1384-1392, doi: 10.1021/jp9628343. Attached Files Name Description MIMEType Size Downloads Title Gradient line reaction paths for hindered internal rotation in H2BNH2 and inversion in PF3 Author(s) Minyaev, RM Wales, DJ Walsh, Tiffany orcid.org/0000-0002-0233-9484 Journal name Journal of Physical Chemistry A Volume number 101 Issue number 7 Start page 1384 End page 1392 Total pages 9 Publisher American Chemical Society Publication date 1997-02-13 ISSN 1089-5639 Keyword(s) Science & Technology Physical Sciences Chemistry, Physical Physics, Atomic, Molecular & Chemical Chemistry Physics POTENTIAL-ENERGY SURFACES QUADRATIC STEEPEST DESCENT EDGE INVERSION AB-INITIO GEOMETRY OPTIMIZATION MOLECULAR-STRUCTURE STATIONARY-POINTS TRANSITION-STATES PERIODIC TRENDS BORON-COMPOUNDS Language eng DOI 10.1021/jp9628343 Field of Research 0307 Theoretical And Computational Chemistry 0202 Atomic, Molecular, Nuclear, Particle And Plasma Physics 0306 Physical Chemistry (Incl. Structural) HERDC Research category CN.1 Other journal article Persistent URL http://hdl.handle.net/10536/DRO/DU:30095759 Document type: Journal Article Collection: Institute for Frontier Materials Related Links Link Description Connect to published version Go to link with your DU access privileges     Unless expressly stated otherwise, the copyright for items in DRO is owned by the author, with all rights reserved. Versions Version Filter Type Thu, 11 May 2017, 14:40:56 EST Fri, 12 May 2017, 05:05:40 EST Fri, 12 May 2017, 06:09:00 EST Sat, 21 Oct 2017, 01:54:07 EST Tue, 05 Dec 2017, 10:34:34 EST Tue, 05 Dec 2017, 10:35:53 EST Tue, 05 Dec 2017, 10:49:47 EST Filtered Full Citation counts:   Cited 15 times in TR Web of Science Cited 0 times in Scopus Search Google Scholar Access Statistics: 8 Abstract Views, 0 File Downloads  -  Detailed Statistics Created: Thu, 11 May 2017, 14:40:56 EST

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