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Mielke, Steven L., Lynch, Gillian C., Truhlar, Donald G., Schwenke, David W. (1993) A separable rotation approximation for the calculation of chemical reaction rates. Chemical Physics Letters, 216. 441-446 doi:10.1016/0009-2614(93)90124-j

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Reference TypeJournal (article/letter/editorial)
TitleA separable rotation approximation for the calculation of chemical reaction rates
JournalChemical Physics Letters
AuthorsMielke, Steven L.Author
Lynch, Gillian C.Author
Truhlar, Donald G.Author
Schwenke, David W.Author
Year1993 (December)Volume216
PublisherElsevier BV
DOIdoi:10.1016/0009-2614(93)90124-jSearch in ResearchGate
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Mindat Ref. ID5890451Long-form Identifiermindat:1:5:5890451:6
GUID0
Full ReferenceMielke, Steven L., Lynch, Gillian C., Truhlar, Donald G., Schwenke, David W. (1993) A separable rotation approximation for the calculation of chemical reaction rates. Chemical Physics Letters, 216. 441-446 doi:10.1016/0009-2614(93)90124-j
Plain TextMielke, Steven L., Lynch, Gillian C., Truhlar, Donald G., Schwenke, David W. (1993) A separable rotation approximation for the calculation of chemical reaction rates. Chemical Physics Letters, 216. 441-446 doi:10.1016/0009-2614(93)90124-j
In(n.d.) Chemical Physics Letters Vol. 216. Elsevier BV

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Mielke, Steven L., Lynch, Gillian C., Truhlar, Donald G., Schwenke, David W. (1993) A more accurate potential energy surface and quantum mechanical cross section calculations for the F+ H2 reaction. Chemical Physics Letters, 213. 10-16 doi:10.1016/0009-2614(93)85411-g
Mielke, Steven L., Tawa, Gregory J., Truhlar, Donald G., Schwenke, David W. (1995) Quantum photochemistry. Accurate quantum scattering calculations for an electronically nonadiabatic reaction. Chemical Physics Letters, 234. 57-63 doi:10.1016/0009-2614(94)01515-w
Mielke, Steven L., Lynch, Gillian C., Truhlar, Donald G., Schwenke, David W. (1994) Ab Initio Chemical Kinetics: Converged Quantal Reaction Rate Constants for the D + H2 System. The Journal of Physical Chemistry, 98 (33). 8000-8008 doi:10.1021/j100084a014
Schwenke, David W., Mielke, Steven L., Tawa, Gregory J., Friedman, Ronald S., Halvick, Philippe, Truhlar, Donald G. (1993) Converged quantum-mechanical calculations of electronic-to-vibrational, rotational energy transfer probabilities in a system with a conical intersection. Chemical Physics Letters, 203. 565-572 doi:10.1016/0009-2614(93)85311-b
Mielke, Steven L., Friedman, Ronald S., Truhlar, Donald G., Schwenke, David W. (1992) High-energy state-to-state quantum dynamics for D+H2 (v=j=1) → HD (v′=1, j′) + H. Chemical Physics Letters, 188. 359-367 doi:10.1016/0009-2614(92)90037-n
Steckler, Rozeanne, Schwenke, David W., Brown, Franklin B., Truhlar, Donald G. (1985) An improved calculation of the transition state for the F + H2 reaction. Chemical Physics Letters, 121. 475-478 doi:10.1016/0009-2614(85)87123-2
Mielke, S.L., Lynch, G.C., Truhlar, D.G., Schwenke, D.W. (1994) A more accurate potential energy surface and quantum mechanical cross section calculations for the F + H2 reaction. Chemical Physics Letters, 217. 173-174 doi:10.1016/0009-2614(93)e1405-6
Mielke, Steven L., Tawa, Gregory J., Truhlar, Donald G., Schwenke, David W. (1993) Energy transfer through exciplex funnel states. Journal Of The American Chemical Society, 115 (14) 6436-6437 doi:10.1021/ja00067a079
Schwenke, David W., Truhlar, Donald G. (1983) An approximate potential energy surface for Heî—¸I2 collisions. Chemical Physics Letters, 98. 217-220 doi:10.1016/0009-2614(83)87153-x
Chatfield, David C., Friedman, Ronald S., Lynch, Gillian C., Truhlar, Donald G., Schwenke, David W. (1993) The nature and role of quantized transition states in the accurate quantum dynamics of the reaction O+H2→OH+H. The Journal of Chemical Physics, 98 (1). 342-362 doi:10.1063/1.464627
Keogh, William J., Boothroyd, Arnold I., Martin, Peter G., Mielke, Steven L., Truhlar, Donald G., Schwenke, David W. (1992) Trajectory calculations and converged quantum cross sections for D + H2(υ = 1, j = 1, Erel = 1.02 eV) → HD(υ′ = 1, j′) + H on a new potential energy surface. Chemical Physics Letters, 195. 144-152 doi:10.1016/0009-2614(92)86126-3
 
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