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Lee, Timothy J., Rendell, Alistair P. (1991) The structure and energetics of the HCN → HNC transition state. Chemical Physics Letters, 177. 491-497 doi:10.1016/0009-2614(91)90073-i

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Reference TypeJournal (article/letter/editorial)
TitleThe structure and energetics of the HCN → HNC transition state
JournalChemical Physics Letters
AuthorsLee, Timothy J.Author
Rendell, Alistair P.Author
Year1991 (March)Volume177
PublisherElsevier BV
DOIdoi:10.1016/0009-2614(91)90073-iSearch in ResearchGate
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Mindat Ref. ID5886304Long-form Identifiermindat:1:5:5886304:2
GUID0
Full ReferenceLee, Timothy J., Rendell, Alistair P. (1991) The structure and energetics of the HCN → HNC transition state. Chemical Physics Letters, 177. 491-497 doi:10.1016/0009-2614(91)90073-i
Plain TextLee, Timothy J., Rendell, Alistair P. (1991) The structure and energetics of the HCN → HNC transition state. Chemical Physics Letters, 177. 491-497 doi:10.1016/0009-2614(91)90073-i
In(n.d.) Chemical Physics Letters Vol. 177. Elsevier BV

See Also

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Rendell, Alistair P., Lee, Timothy J., Komornicki, Andrew (1991) A parallel vectorized implementation of triple excitations in CCSD(T): application to the binding energies of the AlH3, AlH2F, AlHF2 and AlF3 dimers. Chemical Physics Letters, 178. 462-470 doi:10.1016/0009-2614(91)87003-t
Lee, Timothy J., Head-Gordon, Martin, Rendell, Alistair P. (1995) Investigation of a diagnostic for perturbation theory. Comparison to the T1 diagnostic of coupled-cluster theory. Chemical Physics Letters, 243. 402-408 doi:10.1016/0009-2614(95)00875-5
Rendell, Alistair P., Lee, Timothy J., Lindh, Roland (1992) Quantum chemistry on parallel computer architectures: coupled-cluster theory applied to the bending potential of fulminic acid. Chemical Physics Letters, 194. 84-94 doi:10.1016/0009-2614(92)85747-x
Rendell, Alistair P. (1994) Diagonalization-free SCF. Chemical Physics Letters, 229. 204-210 doi:10.1016/0009-2614(94)01053-6
(1991) Instructions to Authors. Chemical Physics Letters, 177. 608-610 doi:10.1016/0009-2614(91)90094-p
Bentley, Joseph A., Bowman, Joel M., Gazdy, Bela, Lee, Timothy J., Dateo, Christopher E. (1992) A global ab initio potential for HCN/HNC, exact vibrational energies, and comparison for experiment. Chemical Physics Letters, 198. 563-569 doi:10.1016/0009-2614(92)85031-5
Helgaker, Trygve (1991) Transition-state optimizations by trust-region image minimization. Chemical Physics Letters, 182. 503-510 doi:10.1016/0009-2614(91)90115-p
Novoa, Juan J., Whangbo, Myung-Hwan, Williams, Jack M. (1991) Interaction energies associated with short intermolecular contacts of C—H bonds. Structure and energetics of the interaction between CH4 and CN−. Chemical Physics Letters, 177. 483-490 doi:10.1016/0009-2614(91)85088-e
(1991) Author Index to Volume 177. Chemical Physics Letters, 177. 599-607 doi:10.1016/0009-2614(91)90093-o
Bak, Børge, Nielsen, Ole J., Svanholt, Henrik (1978) HCN and HNC dimers. A new and stable variant. Chemical Physics Letters, 59. 330-333 doi:10.1016/0009-2614(78)89106-4
Gazdy, B., Musaev, D.G., Bowman, J.M., Morokuma, K. (1995) An ab initio study of the ground and first excited state of HCN ↔ HNC isomerization and a calculation of the HNC A → X fluorescence spectrum. Chemical Physics Letters, 237. 27-32 doi:10.1016/0009-2614(95)00277-b
 
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