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Journal of Chemical Physics
Volumn 116, Issue 24, 2002, Pages 10664-10673
New analytical potential energy surface for the CH4+H hydrogen abstraction reaction: Thermal rate constants and kinetic isotope effects
(1)
Espinosa García, Joaquin
a
a
UNIVERSITY OF EXTREMADURA
(
Spain
)
Author keywords
[No Author keywords available]
Indexed keywords
ACTIVATION ENERGY; ENTHALPY; ENTROPY; HYDROGEN; ISOTOPES; METHANE; RATE CONSTANTS;
POTENTIAL ENERGY SURFACES; THERMAL RATE CONSTANTS;
POTENTIAL ENERGY;
EID
:
0037157721
PISSN
:
00219606
EISSN
:
None
Source Type
:
Journal
DOI
:
10.1063/1.1480273
Document Type
:
Article
Times cited : (
80
)
References (
70
)
1
36849059531
(1939)
J. Chem, Phys.
, vol.7
, pp. 633
Gorin, E.
1
Kauzmann, W.
2
Walter, J.
3
Eyring, H.
4
2
33846628561
(1963)
J. Am Chem. Soc.
, vol.85
, pp. 2544
Johnston, H.S.
1
Parr, C.
2
3
36849105387
(1969)
J. Chem. Phys.
, vol.52
, pp. 4654
Kuntz, P.J.
1
Nemeth, E.M.
2
Polanyi, J.C.
3
Wong, W.H.
4
4
4243621352
(1969)
Chem. Phys. Lett.
, vol.4
, pp. 315
Bunker, D.L.
1
Pattengill, M.
2
5
0001118333
(1970)
J. Chem. Phys.
, vol.53
, pp. 3041
Bunker, D.L.
1
Pattengill, M.
2
6
4243940045
(1973)
Chem. Phys. Lett.
, vol.20
, pp. 50
Valencich, T.
1
Bunker, D.L.
2
7
0003167766
(1974)
J. Chem. Phys.
, vol.61
, pp. 21
Valencich, T.
1
Bunker, D.L.
2
8
0000481322
(1975)
J. Chem. Phys.
, vol.62
, pp. 2890
Chapman, S.
1
Bunker, D.L.
2
9
0001031379
(1987)
J. Chem. Phys.
, vol.87
, pp. 7024
Steckler, R.
1
Dykema, K.J.
2
Brown, F.B.
3
Hancock, G.C.
4
Truhlar, D.G.
5
Valencich, T.
6
10
33846706071
(1987)
J. Chem. Phys.
, vol.87
, pp. 7036
Joseph, T.
1
Steckler, R.
2
Truhlar, D.G.
3
11
36449004568
(1995)
J. Chem. Phys.
, vol.102
, pp. 5669
Jordan, M.J.T.
1
Gilbert, R.G.
2
12
33748449457
(1996)
J. Phys. Chem.
, vol.100
, pp. 16561
Espinosa-García, J.
1
Corchado, J.C.
2
13
0009747562
Research Trends, India
(2000)
Trends in Chemical Physics
, vol.8
, pp. 49
Espinosa-García, J.
1
14
0000591875
(1999)
J. Chem. Phys.
, vol.111
, pp. 9330
Espinosa-García, J.
1
15
0034656446
(2000)
Phys. Chem. Chem. Phys.
, vol.2
, pp. 2345
Espinosa-García, J.
1
García-Bernáldez, J.
2
16
0033691642
(2000)
J. Chem. Phys.
, vol.112
, pp. 9375
Corchado, J.C.
1
Truhlar, D.G.
2
Espinosa-García, J.
3
17
0000602992
(2000)
J. Chem. Phys.
, vol.112
, pp. 5731
Espinosa-García, J.
1
Corchado, J.C.
2
18
0001328299
(1996)
J. Chem. Phys.
, vol.104
, pp. 2237
Takayanagi, T.
1
19
0001369574
(1999)
J. Chem. Phys.
, vol.111
, pp. 3508
Yu, H.-G.
1
Nyman, G.
2
20
0035423993
(2001)
J. Chem. Phys.
, vol.115
, pp. 2055
Wang, D.
1
Bowman, J.M.
2
21
0035967409
(2001)
J. Phys. Chem. A
, vol.105
, pp. 2522
Huarte-Larrañaga, F.
1
Manthe, U.
2
22
0035499333
(2001)
Int. J. Chem. Kinet.
, vol.33
, pp. 669
Sutherland, J.W.
1
Su, M.-C.
2
Michael, J.V.
3
23
0004157278
3rd ed. (National Bureau of Standards, Washington. D.C.)
(1985)
JANAF Thermochemical Tables
, vol.14
Chase M.W., Jr.
1
Davies, C.A.
2
Downey, J.R.
3
Frurip, D.J.
4
McDonald, R.A.
5
Syverud, A.N.
6
24
36448999166
(1993)
J. Chem. Phys.
, vol.99
, pp. 5306
Kraka, E.
1
Gauss, J.
2
Cramer, D.
3
25
33751158246
(1994)
J. Phys. Chem.
, vol.98
, pp. 5290
Dobbs, K.D.
1
Dixon, D.A.
2
26
0000704772
(1999)
Chem. Phys. Lett.
, vol.299
, pp. 57
Kurosaki, Y.
1
Takayanagi, T.
2
27
0002347059
(1998)
Chem. Phys. Lett.
, vol.294
, pp. 45
Truhlar, D.G.
1
28
5044245898
(1999)
J. Chem. Phys.
, vol.111
, pp. 2921
Fast, P.L.
1
Sánchez, M.L.
2
Truhlar, D.G.
3
29
4143095330
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
Kendall, R.A.
1
Dunning, T.H.
2
Harrison, R.J.
3
30
33845376173
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 5412
Gordon, M.S.
1
Truhlar, D.G.
2
31
0001372389
(1989)
J. Phys. Chem.
, vol.93
, pp. 7356
Gordon, M.S.
1
Nguyen, K.A.
2
Truhlar, D.G.
3
32
0001861311
(1995)
Chem. Phys. Lett.
, vol.234
, pp. 64
Rossi, I.
1
Truhlar, D.G.
2
33
0009744606
34
36549103570
(1988)
J. Chem. Phys.
, vol.88
, pp. 922
Page, M.
1
McIver, J.W.
2
35
36449008542
(1995)
J. Chem. Phys.
, vol.102
, pp. 3188
Jackels, C.F.
1
Gu, Z.
2
Truhlar, D.G.
3
36
36749120357
(1980)
J. Chem. Phys.
, vol.72
, pp. 99
Miller, W.H.
1
Handy, N.C.
2
Adams, J.E.
3
37
0002664070
edited by D. G. Truhlar (Plenum, New York)
(1981)
Potential Energy Surfaces and Dynamics Calculations
, pp. 243
Morokuma, K.
1
Kato, S.
2
38
0000684158
JAI, New York
(1990)
Advances in Molecular Electronic Structure Theory
, vol.1
, pp. 129
Kraka, E.
1
Dunning, T.H.
2
39
33845559335
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 4534
Garrett, B.C.
1
Truhlar, D.G.
2
40
0003767850
edited by M. Baer (CRC, Boca Raton)
(1985)
The Theory of Chemical Reactions
, vol.4
Truhlar, D.G.
1
Isaacson, A.D.
2
Garrett, B.C.
3
41
0003852436
University of Minnesota Press, Minneapolis, MN
(2000)
POLYRATE, version 8.5.1
Corchado, J.C.
1
Chuang, Y.-Y.
2
Fast, P.L.
3
42
0001283274
(1998)
J. Phys. Chem.
, vol.102
, pp. 4899
Corchado, J.C.
1
Espinosa-García, J.
2
Neto, O.R.
3
Chuang, Y.-Y.
4
Truhlar, D.G.
5
43
33748449457
(1996)
J. Phys. Chem.
, vol.100
, pp. 16561
Espinosa-García, J.
1
Corchado, J.C.
2
44
0000372194
(1997)
J. Chem. Phys.
, vol.106
, pp. 4013
Corchado, J.C.
1
Espinosa-García, J.
2
45
0001049015
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 7806
Liu, Y.-P.
1
Lu, D.-H.
2
González-Lafont, A.
3
Truhlar, D.G.
4
Garrett, B.C.
5
46
79954585410
(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
47
0035105258
(2001)
J. Chem. Phys.
, vol.114
, pp. 1491
Fernández-Ramos, A.
1
Truhlar, D.G.
2
48
0002122858
(1993)
Comput. Phys. Commun.
, vol.75
, pp. 43
Truong, T.N.
1
Lu, D.-H.
2
Lynch, G.C.
3
49
84948233518
(1992)
J. Phys. Chem. Ref. Data
, vol.21
, pp. 411
Baulch, D.L.
1
Cobos, C.J.
2
Cox, R.A.
3
Esser, C.
4
Frank, P.
5
Just, Th.
6
Kerr, J.A.
7
Pilling, M.J.
8
Troe, J.
9
Walker, R.W.
10
Warnatz, J.
11
50
0001639235
(1991)
J. Phys. Chem.
, vol.95
, pp. 674
Rabinowitz, M.J.
1
Sutherland, J.W.
2
Patterson, P.M.
3
Klemm, R.B.
4
51
0038560390
ftp to crvax.sri.com
(1994)
GRI-Mech 1.2
Frenklach, M.
1
Goldenberg, M.
2
Wang, H.
3
Bowman, C.T.
4
Hanson, R.K.
5
Smith, G.P.
6
Golden, D.M.
7
Gardiner, W.C.
8
Lissianski, V.
9
52
0000323605
(1994)
Can. J. Chem.
, vol.72
, pp. 600
Marquarie, P.-M.
1
Dastikar, A.G.
2
Manthorne, K.C.
3
Pacey, P.D.
4
53
0035810485
(2001)
J. Phys. Chem.
, vol.105
, pp. 3107
Bryukov, M.G.
1
Slagle, I.R.
2
Knyazev, V.D.
3
54
0001250172
(1995)
J. Phys. Chem.
, vol.99
, pp. 15925
Baeck, H.J.
1
Shin, K.S.
2
Yang, H.
3
Qin, Z.
4
Lissianski, V.
5
Gardiner, W.C.
6
55
33748462282
(1996)
J. Phys. Chem.
, vol.100
, pp. 11346
Knyazev, V.D.
1
Bencsura, A.
2
Stoliarov, S.I.
3
Slagle, I.R.
4
56
0034731168
(2000)
Chem. Phys. Lett.
, vol.332
, pp. 538
Yu, H.-G.
1
57
37049100675
(1979)
J. Chem. Soc., Faraday Trans. 1
, vol.75
, pp. 835
Sepherad, A.
1
Marshall, R.M.
2
Purnell, H.
3
58
0000929226
(1969)
J. Chem. Phys.
, vol.50
, pp. 5076
Kurylo, M.J.
1
Timmons, R.B.
2
59
0000309842
(1970)
J. Chem. Phys.
, vol.52
, pp. 1773
Kurylo, M.J.
1
Hollinden, G.A.
2
Timmons, R.B.
3
60
0000700977
(1956)
Can. J. Chem.
, vol.34
, pp. 113
Gesser, H.
1
Steacie, E.W.R.
2
61
0000764551
(1981)
J. Chem. Soc., Faraday Trans. 1
, vol.77
, pp. 2271
Marshall, R.M.
1
Shahkar, G.
2
62
0003783638
Butterworths, London
(1976)
Evaluated Kinetic Data on Gas Phase Hydrogen Transfer Reactions of Methyl Radicals
Kerr, J.A.
1
Personage, M.J.
2
63
0001236842
(1986)
Ber. Bunsenges. Phys. Chem.
, vol.90
, pp. 854
Möller, W.
1
Mozzhukhin, E.
2
Wagner, H.Gg.
3
64
0009716462
(1973)
Can. J. Chem.
, vol.51
, pp. 2174
Clark, T.C.
1
Dove, J.E.
2
65
0000575689
(1990)
J. Phys. Chem.
, vol.94
, pp. 1419
Furue, H.
1
Pacey, P.D.
2
66
0000888410
(1984)
J. Phys. Chem.
, vol.88
, pp. 221
Schatz, G.C.
1
Wagner, A.F.
2
Dunning, T.H.
3
67
0000501182
(1972)
J. Phys. Chem.
, vol.76
, pp. 1669
Shapiro, J.S.
1
Weston, R.E.
2
68
0000783595
(1959)
J. Chem. Phys.
, vol.31
, pp. 1008
Benson, S.W.
1
Jain, D.V.S.
2
69
0001669479
(1974)
Can. J. Chem.
, vol.52
, pp. 3665
Kobrinsky, P.C.
1
Pacey, P.D.
2
70
0001627976
(1986)
J. Phys. Chem.
, vol.90
, pp. 6298
Rodriguez, A.E.
1
Pacey, P.D.
2
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