-
1
-
-
33847085308
-
-
0001-4842 10.1021/ar50156a002, ();, J. Chem. Phys. 0021-9606 10.1063/1.437698 70, 1593 (1979);, J. Chem. Phys. 0021-9606 10.1063/1.439608 72, 3460 (1980);, J. Phys. Chem. 0022-3654 10.1021/j100471a032 83, 1079 (1979);, J. Phys. Chem. 0022-3654 10.1021/j100443a025 84, 682 (1980);, J. Phys. Chem. 0022-3654 87, 4553(E) (1983);, J. Am. Chem. Soc. 0002-7863 10.1021/ja00512a016 101, 5207 (1979);, J. Am. Chem. Soc. 102, 2559 (1980).
-
D. G. Truhlar and B. C. Garrett, Acc. Chem. Res. 0001-4842 10.1021/ar50156a002 13, 440 (1980); B. C. Garrett and D. G. Truhlar, J. Chem. Phys. 0021-9606 10.1063/1.437698 70, 1593 (1979); B. C. Garrett and D. G. Truhlar, J. Chem. Phys. 0021-9606 10.1063/1.439608 72, 3460 (1980); B. C. Garrett and D. G. Truhlar, J. Phys. Chem. 0022-3654 10.1021/j100471a032 83, 1079 (1979); B. C. Garrett and D. G. Truhlar, J. Phys. Chem. 0022-3654 10.1021/j100443a025 84, 682 (1980); B. C. Garrett and D. G. Truhlar, J. Phys. Chem. 0022-3654 87, 4553(E) (1983); B. C. Garrett and D. G. Truhlar, J. Am. Chem. Soc. 0002-7863 10.1021/ja00512a016 101, 5207 (1979); B. C. Garrett and D. G. Truhlar, J. Am. Chem. Soc. 102, 2559 (1980).
-
(1980)
Acc. Chem. Res.
, vol.13
, pp. 440
-
-
Truhlar, D.G.1
Garrett, B.C.2
Garrett, B.C.3
Truhlar, D.G.4
Garrett, B.C.5
Truhlar, D.G.6
Garrett, B.C.7
Truhlar, D.G.8
Garrett, B.C.9
Truhlar, D.G.10
Garrett, B.C.11
Truhlar, D.G.12
Garrett, B.C.13
Truhlar, D.G.14
Garrett, B.C.15
Truhlar, D.G.16
-
3
-
-
0003767850
-
-
in Theory of Chemical Reaction Dynamics, edited by M. Baer (CRC, Boca Raton, FL), Vol.,.
-
D. G. Truhlar, A. D. Isaacson, and B. C. Garrett, in Theory of Chemical Reaction Dynamics, edited by, M. Baer, (CRC, Boca Raton, FL, 1985), Vol. 4, p. 65.
-
(1985)
, vol.4
, pp. 65
-
-
Truhlar, D.G.1
Isaacson, A.D.2
Garrett, B.C.3
-
5
-
-
0026914573
-
-
0010-4655 10.1016/0010-4655(92)90012-N, ();, Comput. Phys. Commun. 88, 341 (1995).
-
D.-h. Lu, T. N. Truong, V. S. Melissas, G. C. Lynch, Y.-P. Liu, B. C. Garrett, R. Steckler, A. D. Isaacson, S. N. Rai, G. C. Hancock, J. C. Lauderdale, T. Joseph, and D. G. Truhlar, Comput. Phys. Commun. 0010-4655 10.1016/0010-4655(92)90012-N 71, 235 (1992); R. Steckler, W.-P. Hu, Y.-P. Liu, G. C. Lynch, B. C. Garrett, A. D. Isaacson, D.-h. Lu, V. S. Melissas, T. N. Truong, S. N. Rai, G. C. Hancock, J. G. Lauderdale, T. Joseph, and D. G. Truhlar, Comput. Phys. Commun. 88, 341 (1995).
-
(1992)
Comput. Phys. Commun.
, vol.71
, pp. 235
-
-
Lu, D.-H.1
Truong, T.N.2
Melissas, V.S.3
Lynch, G.C.4
Liu, Y.-P.5
Garrett, B.C.6
Steckler, R.7
Isaacson, A.D.8
Rai, S.N.9
Hancock, G.C.10
Lauderdale, J.C.11
Joseph, T.12
Truhlar, D.G.13
Steckler, R.14
Hu, W.-P.15
Liu, Y.-P.16
Lynch, G.C.17
Garrett, B.C.18
Isaacson, A.D.19
Lu, D.-H.20
Melissas, V.S.21
Truong, T.N.22
Rai, S.N.23
Hancock, G.C.24
Lauderdale, J.G.25
Joseph, T.26
Truhlar, D.G.27
more..
-
8
-
-
0001856673
-
-
in Computational Methods for Polyatomic Bimolecular Reactions, edited by D. L. Thompson (World Scientific, Singapore),.
-
T. C. Allison and D. G. Truhlar, in Computational Methods for Polyatomic Bimolecular Reactions, edited by, D. L. Thompson, (World Scientific, Singapore, 1998), p. 618.
-
(1998)
, pp. 618
-
-
Allison, T.C.1
Truhlar, D.G.2
-
9
-
-
33847016379
-
-
G. A. Nathanson, B. C. Garrett, T. N. Truong, T. Joseph, and D. G. Truhlar, J. Chem. Phys. 94, 7875 (1991).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 7875
-
-
Nathanson, G.A.1
Garrett, B.C.2
Truong, T.N.3
Joseph, T.4
Truhlar, D.G.5
-
12
-
-
0002657076
-
-
0021-9606 10.1063/1.474377, ();, J. Phys. Chem. A 102, 242 (1998).
-
Y.-Y. Chuang and D. G. Truhlar, J. Chem. Phys. 0021-9606 10.1063/1.474377 107, 83 (1997); Y.-Y. Chuang and D. G. Truhlar, J. Phys. Chem. A 102, 242 (1998).
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 83
-
-
Chuang, Y.-Y.1
Truhlar, D.G.2
Chuang, Y.-Y.3
Truhlar, D.G.4
-
14
-
-
33845559335
-
-
0002-7863 10.1021/ja00510a019, ();, J. Phys. Chem. 83, 1915 (1979).
-
B. C. Garrett and D. G. Truhlar, J. Am. Chem. Soc. 0002-7863 10.1021/ja00510a019 101, 4534 (1979); B. C. Garrett and D. G. Truhlar, J. Phys. Chem. 83, 1915 (1979).
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 4534
-
-
Garrett, B.C.1
Truhlar, D.G.2
Garrett, B.C.3
Truhlar, D.G.4
-
15
-
-
36749116718
-
-
0021-9606 10.1063/1.442394, ();, J. Phys. Chem. 86, 2252 (1982).
-
A. D. Isaacson, D. G. Truhlar, K. Scanlon, and J. Overend, J. Chem. Phys. 0021-9606 10.1063/1.442394 75, 3017 (1981); D. G. Truhlar, A. D. Isaacson, R. T. Skodje, and B. C. Garrett, J. Phys. Chem. 86, 2252 (1982).
-
(1981)
J. Chem. Phys.
, vol.75
, pp. 3017
-
-
Isaacson, A.D.1
Truhlar, D.G.2
Scanlon, K.3
Overend, J.4
Truhlar, D.G.5
Isaacson, A.D.6
Skodje, R.T.7
Garrett, B.C.8
-
16
-
-
33845518944
-
-
0021-9606 10.1063/1.442569, ();, J. Chem. Phys. 80, 2888 (1984).
-
A. D. Isaacson and D. G. Truhlar, J. Chem. Phys. 0021-9606 10.1063/1.442569 75, 4090 (1981); A. D. Isaacson and D. G. Truhlar, J. Chem. Phys. 80, 2888 (1984).
-
(1981)
J. Chem. Phys.
, vol.75
, pp. 4090
-
-
Isaacson, A.D.1
Truhlar, D.G.2
Isaacson, A.D.3
Truhlar, D.G.4
-
21
-
-
41949137278
-
-
Combustion (Academic, New York).
-
I. Glassman, Combustion (Academic, New York, 1977).
-
(1977)
-
-
Glassman, I.1
-
23
-
-
0002454535
-
-
in Advances in Chemical Kinetics and Dynamics, edited by J. R. Barker (JAI, Greenwich, CT),.
-
J. V. Michael, in Advances in Chemical Kinetics and Dynamics, edited by, J. R. Barker, (JAI, Greenwich, CT, 1992), p. 47.
-
(1992)
, pp. 47
-
-
Michael, J.V.1
-
24
-
-
41949115599
-
-
Chemistry of Atmospheres, 3rd ed. (Oxford University Press, Oxford).
-
R. P. Wayne, Chemistry of Atmospheres, 3rd ed. (Oxford University Press, Oxford, 2000).
-
(2000)
-
-
Wayne, R.P.1
-
25
-
-
33745432507
-
-
V. L. Orkin, S. N. Kozlov, G. A. Poskrebyshev, and M. J. Kurylo, J. Phys. Chem. A 110, 6978 (2006).
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 6978
-
-
Orkin, V.L.1
Kozlov, S.N.2
Poskrebyshev, G.A.3
Kurylo, M.J.4
-
26
-
-
0035933980
-
-
and references therein.
-
D. Troya, M. J. Larkin, G. C. Schatz, and M. Gonzalez, J. Chem. Phys. 115, 1828 (2001) and references therein.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 1828
-
-
Troya, D.1
Larkin, M.J.2
Schatz, G.C.3
Gonzalez, M.4
-
28
-
-
0034702636
-
-
G.-s. Wu, G. C. Schatz, G. Lendvay, D.-C. Fang, and L. B. Harding, J. Chem. Phys. 113, 3150 (2000).
-
(2000)
J. Chem. Phys.
, vol.113
, pp. 3150
-
-
Wu, G.-S.1
Schatz, G.C.2
Lendvay, G.3
Fang, D.-C.4
Harding, L.B.5
-
30
-
-
0035396042
-
-
M. Yang, D. H. Zhang, M. A. Collins, and S.-Y. Lee, J. Chem. Phys. 115, 174 (2001).
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 174
-
-
Yang, M.1
Zhang, D.H.2
Collins, M.A.3
Lee, S.-Y.4
-
31
-
-
0039911419
-
-
in Supercomputer Algorithms for Reactivity, Dynamics, and Kinetics of Small Molecules, edited by A. Lagaǹ (Kluwer, Dordrecht, The Netherlands),.
-
T. H. Dunning, Jr., L. B. Harding, and E. Kraka, in Supercomputer Algorithms for Reactivity, Dynamics, and Kinetics of Small Molecules, edited by, A. Lagaǹ, (Kluwer, Dordrecht, The Netherlands, 1989), p. 57.
-
(1989)
, pp. 57
-
-
Dunning Jr., T.H.1
Harding, L.B.2
Kraka, E.3
-
36
-
-
41949122192
-
-
http://theory.northwestern.edu/schatz/codes/codes.html
-
http://theory.northwestern.edu/schatz/codes/codes.html
-
-
-
-
38
-
-
0000674373
-
-
0022-3654 10.1021/j100450a013, ();, J. Phys. Chem. 87, 4554(E) (1983).
-
B. C. Garrett, D. G. Truhlar, R. S. Grev, and A. W. Magnuson, J. Phys. Chem. 0022-3654 10.1021/j100450a013 84, 1730 (1980); B. C. Garrett, D. G. Truhlar, R. S. Grev, and A. W. Magnuson, J. Phys. Chem. 87, 4554(E) (1983).
-
(1980)
J. Phys. Chem.
, vol.84
, pp. 1730
-
-
Garrett, B.C.1
Truhlar, D.G.2
Grev, R.S.3
Magnuson, A.W.4
Garrett, B.C.5
Truhlar, D.G.6
Grev, R.S.7
Magnuson, A.W.8
-
40
-
-
79954585410
-
-
Y.-P. Liu, G. C. Lynch, T. N. Truong, D.-h. Lu, D. G. Truhlar, and B. C. Garrett, J. Am. Chem. Soc. 115, 2408 (1993).
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 2408
-
-
Liu, Y.-P.1
Lynch, G.C.2
Truong, T.N.3
Lu, D.-H.4
Truhlar, D.G.5
Garrett, B.C.6
-
43
-
-
0003993379
-
-
in Potential Energy Surfaces and Dynamics Calculations, edited by D. G. Truhlar (Plenum, New York),.
-
K. Morokuma and S. Kato, in Potential Energy Surfaces and Dynamics Calculations, edited by, D. G. Truhlar, (Plenum, New York, 1981), p. 243.
-
(1981)
, pp. 243
-
-
Morokuma, K.1
Kato, S.2
-
44
-
-
41949107980
-
-
in Potential Energy Surfaces and Dynamics Calculations (Ref.),.
-
W. H. Miller, in Potential Energy Surfaces and Dynamics Calculations (Ref.), p. 265.
-
-
-
Miller, W.H.1
-
46
-
-
41949123153
-
-
in The Reaction Path in Chemistry: Current Approaches and Perspectives, edited by D. Heidrich (Kluwer, Dordrecht),.
-
A. Tachibana and T. Iwai, in The Reaction Path in Chemistry: Current Approaches and Perspectives, edited by, D. Heidrich, (Kluwer, Dordrecht, 1995), p. 77.
-
(1995)
, pp. 77
-
-
Tachibana, A.1
Iwai, T.2
-
47
-
-
41949098354
-
-
in The Reaction Path in Chemistry: Current Approaches and Perspectives (Ref.),.
-
A. D. Isaacson, in The Reaction Path in Chemistry: Current Approaches and Perspectives (Ref.), p. 191.
-
-
-
Isaacson, A.D.1
-
48
-
-
41949137277
-
-
in Encyclopedia of Physics, edited by S. Flügge (Springer, Berlin), Vol. 37/1, 173.
-
H. H. Nielsen, in Encyclopedia of Physics, edited by, S. Flügge, (Springer, Berlin, 1959), Vol. 37/1, p. 173.
-
(1959)
-
-
Nielsen, H.H.1
-
49
-
-
41949128714
-
-
Vibrational States (Wiley, London).
-
S. Califano, Vibrational States (Wiley, London, 1976).
-
(1976)
-
-
Califano, S.1
-
52
-
-
41949112657
-
-
Molecular Vibrations (McGraw-Hill, New York).
-
E. B. Wilson, Jr., J. C. Decius, and P. C. Cross, Molecular Vibrations (McGraw-Hill, New York, 1955).
-
(1955)
-
-
Wilson Jr., E.B.1
Decius, J.C.2
Cross, P.C.3
-
53
-
-
41949095526
-
-
Numerical Analysis (Wiley, Chichester).
-
H. R. Schwarz, Numerical Analysis (Wiley, Chichester, 1989).
-
(1989)
-
-
Schwarz, H.R.1
-
56
-
-
36849098681
-
-
0021-9606 10.1063/1.1727528, ();, J. Chem. Phys. 49, 2617 (1969).
-
R. A. Marcus, J. Chem. Phys. 0021-9606 10.1063/1.1727528 45, 4493 (1966); R. A. Marcus, J. Chem. Phys. 49, 2617 (1969).
-
(1966)
J. Chem. Phys.
, vol.45
, pp. 4493
-
-
Marcus, R.A.1
Marcus, R.A.2
-
58
-
-
33644799996
-
-
D. L. Baulch, C. T. Bowman, C. J. Cobos, R. A. Cox, Th. Just, J. A. Kerr, M. J. Pilling, D. Stocker, J. Troe, W. Tsang, R. W. Walker, and J. Warnatz, J. Phys. Chem. Ref. Data 34, 757 (2005).
-
(2005)
J. Phys. Chem. Ref. Data
, vol.34
, pp. 757
-
-
Baulch, D.L.1
Bowman, C.T.2
Cobos, C.J.3
Cox, R.A.4
Just, Th.5
Kerr, J.A.6
Pilling, M.J.7
Stocker, D.8
Troe, J.9
Tsang, W.10
Walker, R.W.11
Warnatz, J.12
-
60
-
-
31544444982
-
-
1089-5639 10.1021/jp051434p, ();, J. Phys. Chem. A 111, 4869 (2007).
-
A. J. C. Varandas and S. P. J. Rodrigues, J. Phys. Chem. A 1089-5639 10.1021/jp051434p 110, 485 (2006); A. J. C. Varandas and S. P. J. Rodrigues, J. Phys. Chem. A 111, 4869 (2007).
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 485
-
-
Varandas, A.J.C.1
Rodrigues, S.P.J.2
Varandas, A.J.C.3
Rodrigues, S.P.J.4
-
62
-
-
41949107286
-
-
Constants of Diatomic Molecules (Van Nostrand Reinhold, New York).
-
K. P. Huber and G. Herzberg, Constants of Diatomic Molecules (Van Nostrand Reinhold, New York, 1979).
-
(1979)
-
-
Huber, K.P.1
Herzberg, G.2
-
64
-
-
0011627170
-
-
(Harmonic zero point energy contributions have been removed.)
-
Natl. Stand. Ref. Data Ser. (U.S. Natl. Bur. Stand.) 37 (1971). (Harmonic zero point energy contributions have been removed.)
-
(1971)
Natl. Stand. Ref. Data Ser. (U.S. Natl. Bur. Stand.)
, vol.37
-
-
|