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an electronic structure program, release 1.0
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DALTON, an electronic structure program, release 1.0, written by Helgaker, T.; Aa. Jensen, H. J.; Jørgensen, P.; Olsen, J.; Ruud, K.; Ȧgren, H.; Andersen, T.; Bak, K. L.; Bakken, V.; Christiansen, O.; Dahle, P.; Dalskov, E. K.; Enevoldsen, T.; Fernandez, B.; Heiberg, H.; Hettema, H.; Jonsson, D.; Kirpekar, S.; Kobayashi, R.; Koch, H.; Mikkelsen, K. V.; Norman, P.; Packer, M. J.; Saue, T.; Taylor, P. R.; Vahtras, O. 1997.
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Christiansen, O.10
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Dalskov, E.K.12
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Koch, H.20
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Packer, M.J.23
Saue, T.24
Taylor, P.R.25
Vahtras, O.26
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MOLPRO, a package of ab initio programs written by Werner, H.-J. and Knowles, P. J., with contributions from Almlöf, J.; Amos, R. D.; Deegan, M. J. O.; Elbert, S. T.; Hampel, C.; Meyer, W.; Peterson, K.; Pitzer, R.; Stone, A. J.; Taylor, P. R.; Lindh, R. 1996.
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Werner, H.-J.1
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Elbert, S.T.6
Hampel, C.7
Meyer, W.8
Peterson, K.9
Pitzer, R.10
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Taylor, P.R.12
Lindh, R.13
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Robb, M.A.6
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Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
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20
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Generalized Transition State Theory
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See, for example: Truhlar, D. G.; Isaacson, A. D.; Garrett, B. C. Generalized Transition State Theory. In Theory of Chemical Reaction Dynamics; Baer, M., Ed.; CRC Press: Boca Raton, FL, 1985; Vol. IV, pp 65-137.
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Steckler, R.; Chuang, Y.-Y.; Coitiño, E. L.; Fast, P. L.; Corchado, J. C.; Hu, W.-P.; Liu, Y.-P.; Lynch, G. C.; Nguyen, K. A.; Jackels, C. F.; Gu, M. Z.; Rossi, I.; Clayton, S.; Melissas, V. S.; Garrett, B. C.; Isaacson, A. D.; Truhlar, D. G. POLYRATE, version 7.2; University of Minnesota, Minneapolis, MN, 1997.
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POLYRATE, Version 7.2
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Steckler, R.1
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Fast, P.L.4
Corchado, J.C.5
Hu, W.-P.6
Liu, Y.-P.7
Lynch, G.C.8
Nguyen, K.A.9
Jackels, C.F.10
Gu, M.Z.11
Rossi, I.12
Clayton, S.13
Melissas, V.S.14
Garrett, B.C.15
Isaacson, A.D.16
Truhlar, D.G.17
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