-
8
-
-
0035913545
-
-
Sumathi, R.; Carstensen, H.-H.; Green, W. H., Jr. J. Phys. Chem. A 2001, 705, 6910.
-
(2001)
J. Phys. Chem. A
, vol.705
, pp. 6910
-
-
Sumathi, R.1
Carstensen, H.-H.2
Green Jr., W.H.3
-
9
-
-
0002610669
-
-
Chinnick, S. J.; Bauich, D. L.; Ayscough, P. B. Chemom. Intell. Lab. Syst. 1988, 5, 39.
-
(1988)
Chemom. Intell. Lab. Syst.
, vol.5
, pp. 39
-
-
Chinnick, S.J.1
Bauich, D.L.2
Ayscough, P.B.3
-
10
-
-
0001559951
-
-
Haux, L.; Cunin, P.-Y.; Griffiths, M.; Come, G.-M. J. Chim. Phys. 1988, 85, 739.
-
(1988)
J. Chim. Phys.
, vol.85
, pp. 739
-
-
Haux, L.1
Cunin, P.-Y.2
Griffiths, M.3
Come, G.-M.4
-
11
-
-
0000160792
-
-
Chevalier, C.; Warnatz, J.; Melenk, H. Ber. Bunsen-Ges. Phys. Chem. 1990, 94, 1362.
-
(1990)
Ber. Bunsen-Ges. Phys. Chem.
, vol.94
, pp. 1362
-
-
Chevalier, C.1
Warnatz, J.2
Melenk, H.3
-
12
-
-
0026873788
-
-
Dente, M.; Pierucci, S.; Ranzi, E.; Bussant, G. Chem. Eng. Sci. 1992, 47, 2629.
-
(1992)
Chem. Eng. Sci.
, vol.47
, pp. 2629
-
-
Dente, M.1
Pierucci, S.2
Ranzi, E.3
Bussant, G.4
-
13
-
-
0027020093
-
-
Chevalier, C.; Pitz, W. J.; Warnatz, J.; Westbrook, C. K.; Melenk, H. Proc. Combust. Inst. 1992, 24, 93.
-
(1992)
Proc. Combust. Inst.
, vol.24
, pp. 93
-
-
Chevalier, C.1
Pitz, W.J.2
Warnatz, J.3
Westbrook, C.K.4
Melenk, H.5
-
15
-
-
0030360018
-
-
Nehse, M.; Warnatz, J.; Chevalier, C. Symp. (Int.) Combust., [Proc.] 1996, 26, 773.
-
(1996)
Symp. (Int.) Combust., [Proc.]
, vol.26
, pp. 773
-
-
Nehse, M.1
Warnatz, J.2
Chevalier, C.3
-
16
-
-
0029329141
-
-
Ranzi, E.; Faravelli, T.; Gaffuri, P.; Sogaro, A. Combust. Flame 1995, 702, 179.
-
(1995)
Combust. Flame
, vol.702
, pp. 179
-
-
Ranzi, E.1
Faravelli, T.2
Gaffuri, P.3
Sogaro, A.4
-
17
-
-
0028533305
-
-
Ranzi, E.; Sogaro, A.; Gaffuri, P.; Pcnnati, G.; Westbrook, C. K.; Pitz, W. Combust. Flame 1994, 99, 201.
-
(1994)
Combust. Flame
, vol.99
, pp. 201
-
-
Ranzi, E.1
Sogaro, A.2
Gaffuri, P.3
Pcnnati, G.4
Westbrook, C.K.5
Pitz, W.6
-
18
-
-
0000064165
-
-
Susnow, R. G.; Dean, A. M.; Green, W. H.; Peczak, P. J. Phys. Chem. A 1997, 101. 3731.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 3731
-
-
Susnow, R.G.1
Dean, A.M.2
Green, W.H.3
Peczak, P.4
-
19
-
-
0030086839
-
-
Broadbelt, L. J.; Start, S. M.; Klein, M. T. Comput. Chem. Eng. 1996,20,113.
-
(1996)
Comput. Chem. Eng.
, vol.20
, pp. 113
-
-
Broadbelt, L.J.1
Start, S.M.2
Klein, M.T.3
-
20
-
-
0000670212
-
-
Broadbelt, L. J.; Stark, S. M.; Klein, M. T. Ind. Eng. Chem. Res. 1995, 34, 2566.
-
(1995)
Ind. Eng. Chem. Res.
, vol.34
, pp. 2566
-
-
Broadbelt, L.J.1
Stark, S.M.2
Klein, M.T.3
-
21
-
-
0028410110
-
-
Broadbelt, L. J.; Stark, S. M.; Klein, M. T. Ind. Eng. Chem. Res. 1994, 33, 790.
-
(1994)
Ind. Eng. Chem. Res.
, vol.33
, pp. 790
-
-
Broadbelt, L.J.1
Stark, S.M.2
Klein, M.T.3
-
22
-
-
0004133516
-
-
Gaussian, Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Baboul, A. G.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, L; Gomperts, R.; Martin, A. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Challacombe, M.; Gill, P. M. W.; Johnson, B.; Chen, W.; Wong, M. W.; Andres, J. L.; Gonzalez, C.; HeadGordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.9; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revision A.9
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery, J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Baboul, A.G.36
Stefanov, B.B.37
Liu, G.38
Liashenko, A.39
Piskorz, P.40
Komaromi, L.41
Gomperts, R.42
Martin, A.L.43
Fox, D.J.44
Keith, T.45
Al-Laham, M.A.46
Peng, C.Y.47
Nanayakkara, A.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Gonzalez, C.55
Headgordon, M.56
Replogle, E.S.57
Pople, J.A.58
more..
-
23
-
-
0000215083
-
-
Montgomery, J. A., Jr.; Ochterski, J. W.; Petersson, G. A. J. Chem. Phys. 1994,101, 5900.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 5900
-
-
Montgomery Jr., J.A.1
Ochterski, J.W.2
Petersson, G.A.3
-
24
-
-
0038269037
-
-
Ochterski, J. W.; Petersson, G. A.; Montgomery, J. A., Jr. J. Chem. Phys. 1996, 104, 2598.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 2598
-
-
Ochterski, J.W.1
Petersson, G.A.2
Montgomery Jr., J.A.3
-
25
-
-
0001334257
-
-
Nicolaides, A.; Rauk, A.; Glukkhovtsev, M. N.; Radom, L. J. Phys. Chem. 1996, 700, 17460.
-
(1996)
Phys. Chem.
, vol.700
, pp. 17460
-
-
Nicolaides, A.1
Rauk, A.2
Glukkhovtsev, M.N.3
Radom, L.J.4
-
26
-
-
0000109748
-
-
Curtiss, L. A.; Raghavachari, K.; Redfem, P. C.; Pople, J. A. J. Chem. Phys. 1997, 700, 1063.
-
(1997)
J. Chem. Phys.
, vol.700
, pp. 1063
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfem, P.C.3
Pople, J.A.4
-
27
-
-
0032558947
-
-
and references therein.
-
Petersson, G. A.; Malick, D. K.; Wilson, W. G.; Ochterski, J. W.; Montgomery, J. A., Jr.; Frisch, M. J.}. Chem, Phys. 1998, 709, 10570 and references therein.
-
(1998)
Chem, Phys.
, vol.709
, pp. 10570
-
-
Petersson, G.A.1
Malick, D.K.2
Wilson, W.G.3
Ochterski, J.W.4
Montgomery Jr., J.A.5
Frisch, M.J.6
-
31
-
-
84874601900
-
-
(a) NIST Webbook, http://webbook.nist.gov.
-
NIST Webbook
-
-
-
33
-
-
0003720349
-
-
Krieger Publ. Co.: Malabar, Florida
-
(a) Stull, D. R.; Westrum, E. F., Jr.; Sinke, G. C. The Chemical Tliermodynamics of Organic Compounds; Krieger Publ. Co.: Malabar, Florida, 1987.
-
(1987)
The Chemical Tliermodynamics of Organic Compounds
-
-
Stull, D.R.1
Westrum Jr., E.F.2
Sinke, G.C.3
-
35
-
-
0000544337
-
-
Kochi, K., Ed.; Wiley: New York
-
O' Neal, H. E.; Benson, S. W. In Free Radicals; Kochi, K., Ed.; Wiley: New York, 1973; Vol. II, p 275.
-
(1973)
Free Radicals
, pp. 275
-
-
O'Neal, H.E.1
In, B.S.W.2
-
42
-
-
0011702513
-
-
(a) Rauk, A.; Yu, D.; Borowski, P.; Roos, B. Chem. Phys. 1995, 797, 73.
-
(1995)
Chem. Phys.
, vol.797
, pp. 73
-
-
Rauk, A.1
Yu, D.2
Borowski, P.3
Roos, B.4
-
43
-
-
0034245696
-
-
(b) Haworth, N. L.; Smith, M. H.; Backsay, G. B.; Mackie, J. C. J. Phys. Chem. A 2000, 104, 7600.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 7600
-
-
Haworth, N.L.1
Smith, M.H.2
Backsay, G.B.3
Mackie, J.C.4
-
44
-
-
0000857572
-
-
and references therein
-
(a) Mckean, D. C. Chem. Soc. Rev. 1978, 7, 399 and references therein,
-
(1978)
Chem. Soc. Rev.
, vol.7
, pp. 399
-
-
Mckean, D.C.1
-
48
-
-
0004341072
-
-
Smith. G. P.; Golden. D. M.; Frenklach, M.; Moriarty, N. W.; Eiteneer, B.; Goldenberg, M.; Bowman, C. T.; Hanson, R. K.; Song, S.; Gardiner, W. C., Jr.; Lissianski, V. V.; Qin. Z. GRIMech 3.0; http:// www.me.berkeley.ed u/gri_mech/.
-
GRIMech 3.0
-
-
Smith, G.P.1
Golden, D.M.2
Frenklach, M.3
Moriarty, N.W.4
Eiteneer, B.5
Goldenberg, M.6
Bowman, C.T.7
Hanson, R.K.8
Song, S.9
Gardiner Jr., W.C.10
Lissianski, V.V.11
Qin, Z.12
-
49
-
-
0032128244
-
-
Curran, H. J.; Gaffuri, P.; Pitz, W. J.; Westbrook, C. K. Combust. Flame 1998, 114, 149.
-
(1998)
Combust. Flame
, vol.114
, pp. 149
-
-
Curran, H.J.1
Gaffuri, P.2
Pitz, W.J.3
Westbrook, C.K.4
-
52
-
-
0033152974
-
-
Hidaka, Y.; Nishimori, T.; Sato, K.; Henmi, Y.; Okuda, R.; Inami, K. Combust. Flame 1999, 777, 755.
-
(1999)
Combust. Flame
, vol.777
, pp. 755
-
-
Hidaka, Y.1
Nishimori, T.2
Sato, K.3
Henmi, Y.4
Okuda, R.5
Inami, K.6
-
54
-
-
0030561128
-
-
Hidaka, Y.; Hattori, K.; Okuno, T.; Inami, K.; Abe, T.; Koike, T. Combust. Flame 1996, 707, 401.
-
(1996)
Combust. Flame
, vol.707
, pp. 401
-
-
Hidaka, Y.1
Hattori, K.2
Okuno, T.3
Inami, K.4
Abe, T.5
Koike, T.6
-
55
-
-
0026923044
-
-
Hidaka, Y.; Nakamura, T.; Tanaka, H.; Jinno, A.; Kawano, H.; Higashihara, T. Int. J. Chem. Kinet. 1992, 24, 761.
-
(1992)
Int. J. Chem. Kinet.
, vol.24
, pp. 761
-
-
Hidaka, Y.1
Nakamura, T.2
Tanaka, H.3
Jinno, A.4
Kawano, H.5
Higashihara, T.6
-
57
-
-
33845506793
-
-
CHEMKIN, http://www.ReactionDesign.com.
-
-
-
-
59
-
-
0001213875
-
-
Baulch, D. L.; Cobos, C. J.; Cox, R. A.; Esser, C.; Frank, P.; Just, Th.; Kerr, J. A.; Pilling, M. J.; Troe, J.; Walker, R. W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 27, 411.
-
(1992)
J. Phys. Chem. Ref. Data
, vol.27
, 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
-
60
-
-
84913704851
-
-
Baulsch, D. L.; Cobos, C. J.; Cox, R. A.; Frank, P.; Hayman, G.; Just, Th.; Kerr, J. A.; Murrells, T.; Pilling, M. J.; Troe, J.; Walker, R. W.; Warnatz, J. J. Phys. Chem. Réf. Data 1994, 23, 847.
-
(1994)
J. Phys. Chem. Réf. Data
, vol.23
, pp. 847
-
-
Baulsch, D.L.1
Cobos, C.J.2
Cox, R.A.3
Frank, P.4
Hayman, G.5
Just, Th.6
Kerr, J.A.7
Murrells, T.8
Pilling, M.J.9
Troe, J.10
Walker, R.W.11
Warnatz, J.12
-
61
-
-
0001584330
-
-
Peelers, J.; Van Look, H.; Ceursters, B. J. Phys. Chem. A 1996, 100, 15124.
-
(1996)
J. Phys. Chem. A
, vol.100
, pp. 15124
-
-
Peelers, J.1
Van Look, H.2
Ceursters, B.3
-
62
-
-
0002111151
-
-
American Chemical Society: Washington, DC, and American Institute of Physics for the National Institute of Standards and Technology: New York
-
Chase, M. W., Jr. NIST-JANAF Tliermochemical Tables, 4th ed.; J. Phys. Chem. Réf. Data, Monograph 9; American Chemical Society: Washington, DC, and American Institute of Physics for the National Institute of Standards and Technology: New York, 1998; p 1.
-
(1998)
NIST-JANAF Tliermochemical Tables, 4th Ed.; J. Phys. Chem. Réf. Data, Monograph 9
, pp. 1
-
-
Chase Jr., M.W.1
-
63
-
-
0001983968
-
-
Martinho Simoes, J. A., Greenberg, A., Liebman, J. F., Eds,; Blackie Academic and Professional: London
-
Tsang, W. Energetics of Organic Free Radicals; Martinho Simoes, J. A., Greenberg, A., Liebman, J. F., Eds,; Blackie Academic and Professional: London, 1996; 22.
-
(1996)
Energetics of Organic Free Radicals
, pp. 22
-
-
Tsang, W.1
-
65
-
-
0001110757
-
-
(a) Hoyermann, K.; Sievert, R.; Wagner, H. Gg. Ber. Bunsen-Ges. Phys. Chem. 1981, 55, 149.
-
(1981)
Ber. Bunsen-Ges. Phys. Chem.
, vol.55
, pp. 149
-
-
Hoyermann, K.1
Sievert, R.2
Wagner, H.Gg.3
-
66
-
-
33847805170
-
-
(b) Meagher, J. F.; Kim, P.; Lee, J. H.; Timmons, R. B. J. Phys. Chem. 1974, 78, 2650.
-
(1974)
J. Phys. Chem.
, vol.78
, pp. 2650
-
-
Meagher, J.F.1
Kim, P.2
Lee, J.H.3
Timmons, R.B.4
-
68
-
-
0031075381
-
-
(a)Lendvay, G.; Berces, T.; Marta, F. J. Phys. Chem. A 1997,101, 1588.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 1588
-
-
Lendvay, G.1
Berces, T.2
Marta, F.3
-
69
-
-
0000422882
-
-
(b) Jodkowski, J. T.; Rayez, M.-T.; Rayez, J.-C.; Berces, T.; Dobe, S. J. Phys. Chem. A 1999, 103, 3750.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 3750
-
-
Jodkowski, J.T.1
Rayez, M.-T.2
Rayez, J.-C.3
Berces, T.4
Dobe, S.5
-
70
-
-
0001319163
-
-
Dobe, S.; Oehlers, C.; Temps, F.; Wagner, H. Gg.; Ziemer, H. Ber. Bunsen-Ges. Phys. Chem. 1994, 98, 754.
-
(1994)
Ber. Bunsen-Ges. Phys. Chem.
, vol.98
, pp. 754
-
-
Dobe, S.1
Oehlers, C.2
Temps, F.3
Wagner, H.G.4
Ziemer, H.5
-
71
-
-
0034324507
-
-
Oehlers, C.; Wagner, H. Gg.; Ziemer, H.; Temps, F.; Dobe, S. J. Phys. Chem. A 2000, 104, 10500.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 10500
-
-
Oehlers, C.1
Gg, W.H.2
Ziemer, H.3
Temps, F.4
Dobe, S.5
-
73
-
-
0026914573
-
-
Lu, D. H.; Truong, T. N.; Melissas, V. S.; Lynch, G. C.; Liu, V. P.; Garrett, B. C.; Sleekier, R.; Isaacson, A. D.; Rai, S. N.; Hancock, G. C.; Lauderdale, J. G.; Joseph, T.; Truhlar, D. G. Comput. Phys. Comm. 1992, 71,235.
-
(1992)
Comput. Phys. Comm.
, vol.71
, pp. 235
-
-
Lu, D.H.1
Truong, T.N.2
Melissas, V.S.3
Lynch, G.C.4
Liu, V.P.5
Garrett, B.C.6
Sleekier, R.7
Isaacson, A.D.8
Rai, S.N.9
Hancock, G.C.10
Lauderdale, J.G.11
Joseph, T.12
Truhlar, D.G.13
-
74
-
-
0027572377
-
-
>-(50) Hidaka, Y.; Taniguchi, T.; Tanaka, H.; Kamesawa, T.; Inami, K.; Kawano, H. Combust. Flame 1993, 92, 365.
-
(1993)
Combust. Flame
, vol.92
, pp. 365
-
-
Hidaka, Y.1
Taniguchi, T.2
Tanaka, H.3
Kamesawa, T.4
Inami, K.5
Kawano, H.6
-
75
-
-
0000881530
-
-
Azatyan, V. V.; Nalbandyan, A. B.; Ts'ui, M.-Y. Dokl Akad. Nauk USSR 1963, 149, 1095.
-
(1963)
Dokl Akad. Nauk USSR
, vol.149
, pp. 1095
-
-
Azatyan, V.V.1
Nalbandyan, A.B.2
Ts'si, M.-Y.3
-
76
-
-
0001392817
-
-
Baldwin, R. R.; Simmons, R. F.; Walker, R. W. Trans. Faraday Soc. 1966, 62, 2486.
-
(1966)
Trans. Faraday Soc.
, vol.62
, pp. 2486
-
-
Baldwin, R.R.1
Simmons, R.F.2
Walker, R.W.3
-
78
-
-
4243264900
-
-
Nametkin, N. S.; Shevel'kova, L. V.; Kalinenko, R. A. Dokl. Chem. (Engl. Transi.) 1975, 221, 851.
-
(1975)
Dokl. Chem. (Engl. Transi.)
, vol.221
, pp. 851
-
-
Nametkin, N.S.1
Shevel'kova, L.V.2
Kalinenko, R.A.3
-
80
-
-
84985426220
-
-
Hautman, D. J.; Santoro, R. J.; Dryer, F. L.; Classman, I. Int. J. Chem. Kinet. 1981, '13, 149.
-
(1981)
Int. J. Chem. Kinet.
, vol.13
, pp. 149
-
-
Hautman, D.J.1
Santoro, R.J.2
Dryer, F.L.3
Classman, I.4
-
81
-
-
0002032896
-
-
Yampol'skii, Yu. P.; Lavrovskii, K. P.; Maksimov, Yu. V.; Rybin, V. M. Kinet. Catal. 1974, 15, 17.
-
(1974)
Kinet. Catal.
, vol.15
, pp. 17
-
-
Yampol'skii Yu., P.1
Lavrovskii, K.P.2
Maksimov Yu., V.3
Rybin, V.M.4
-
83
-
-
0000299814
-
-
Farhat, S. K.; Morter, C. L.; Glass, G. P. J. Phys. Chem. 1993, 97, 12789.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 12789
-
-
Farhat, S.K.1
Morter, C.L.2
Glass, G.P.3
-
86
-
-
0022713004
-
-
Vandooren, J.; Oldenhove de Guertechin, L.; van Tiggelen, P. J. Combust. Flame 1986, 64, 127.
-
(1986)
Combust. Flame
, vol.64
, pp. 127
-
-
Vandooren, J.1
De Oldenhove Guertechin, L.2
Van Tiggelen, P.J.3
-
87
-
-
0035281378
-
-
Senosiain, J. P.; Musgrave, C. B.; Golden, D. M. J. Phys. Chem. A 2001, 705, 1669.
-
(2001)
J. Phys. Chem. A
, vol.705
, pp. 1669
-
-
Senosiain, J.P.1
Musgrave, C.B.2
Golden, D.M.3
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