-
1
-
-
34247172679
-
-
H. Z. R. Zhang, E. G. Eddings, A. F. Sarofim, Energy Fuels 2007, 21, 677-685.
-
(2007)
Energy Fuels
, vol.21
, pp. 677-685
-
-
Zhang, H.Z.R.1
Eddings, E.G.2
Sarofim, A.F.3
-
2
-
-
0020704788
-
-
E. Ranzi, M. Dente, S. Plerucci, G. Biardi, Ind. Eng. Chem. Fund. 1983, 22, 132-139.
-
(1983)
Ind. Eng. Chem. Fund.
, vol.22
, pp. 132-139
-
-
Ranzi, E.1
Dente, M.2
Plerucci, S.3
Biardi, G.4
-
4
-
-
0023842254
-
-
L. P. Hillewaert, J. L. Dierickx, G. F. Froment, AIChE J. 1988, 34, 17-24.
-
(1988)
AIChE J
, vol.34
, pp. 17-24
-
-
Hillewaert, L.P.1
Dierickx, J.L.2
Froment, G.F.3
-
5
-
-
0030086839
-
-
L. J. Broadbelt, S. M. Stark, M. T. Klein, Comput. Chem. Eng. 1996, 20, 113-129.
-
(1996)
Comput. Chem. Eng.
, vol.20
, pp. 113-129
-
-
Broadbelt, L.J.1
Stark, S.M.2
Klein, M.T.3
-
6
-
-
0033626723
-
-
F. Battin-Leclerc, P. A. Glaude, V. Warth, R. Fournet, G. Scacchi, G. M. Côme, Chem. Eng. Sci. 2000, 55, 2883-2893.
-
(2000)
Chem. Eng. Sci.
, vol.55
, pp. 2883-2893
-
-
Battin-Leclerc, F.1
Glaude, P.A.2
Warth, V.3
Fournet, R.4
Scacchi, G.5
Côme, G.M.6
-
8
-
-
17944370003
-
-
W. H. Green, P. I. Barton, B. Bhattacharjee, D. M. Matheu, D. A. Schwer, J. Song, R. Sumathi, H. H. Carstensen, A. M. Dean, J. M. Grenda, Ind. Eng. Chem. Res. 2001, 40, 5362-5370.
-
(2001)
Ind. Eng. Chem. Res.
, vol.40
, pp. 5362-5370
-
-
Green, W.H.1
Barton, P.I.2
Bhattacharjee, B.3
Matheu, D.M.4
Schwer, D.A.5
Song, J.6
Sumathi, R.7
Carstensen, H.H.8
Dean, A.M.9
Grenda, J.M.10
-
9
-
-
34249982836
-
-
M. Dente, G. Bozzano, T. Faravelli, A. Marongiu, S. Pierucci, E. Ranzi, Adv. Chem. Eng. 2007, 32, 51-166.
-
(2007)
Adv. Chem. Eng.
, vol.32
, pp. 51-166
-
-
Dente, M.1
Bozzano, G.2
Faravelli, T.3
Marongiu, A.4
Pierucci, S.5
Ranzi, E.6
-
12
-
-
32444438270
-
-
K. M. Van Geem, M. F. Reyniers, G. B. Marin, J. Song, D. M. Matheu, W. H. Green, AIChE J. 2006, 52, 718-730.
-
(2006)
AIChE J
, vol.52
, pp. 718-730
-
-
Van Geem, K.M.1
Reyniers, M.F.2
Marin, G.B.3
Song, J.4
Matheu, D.M.5
Green, W.H.6
-
13
-
-
27744532091
-
-
J. Zádor, I. G. Zsély, T. Turányi, M. Ratto, S. Tarantola, A. Saltelli, J. Phys. Chem. A 2005, 109, 9795-9807.
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 9795-9807
-
-
Zádor, J.1
Zsély, I.G.2
Turányi, T.3
Ratto, M.4
Tarantola, S.5
Saltelli, A.6
-
14
-
-
0000064165
-
-
R. G. Susnow, A. M. Dean, W. H. Green, P. Peczak, L. J. Broadbelt, J. Phys. Chem. A 1997, 101, 3731-3740.
-
(1997)
J. Phys. Chem. A
, vol.101
, pp. 3731-3740
-
-
Susnow, R.G.1
Dean, A.M.2
Green, W.H.3
Peczak, P.4
Broadbelt, L.J.5
-
22
-
-
0035913545
-
-
R. Sumathi, H. H. Carstensen, W. H. Green, J. Phys. Chem. A 2001, 105, 6910-6925.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 6910-6925
-
-
Sumathi, R.1
Carstensen, H.H.2
Green, W.H.3
-
23
-
-
0035807523
-
-
R. Sumathi, H. H. Carstensen, W. H. Green, J. Phys. Chem. A 2001, 105, 8969-8984.
-
(2001)
J. Phys. Chem. A
, vol.105
, pp. 8969-8984
-
-
Sumathi, R.1
Carstensen, H.H.2
Green, W.H.3
-
24
-
-
0037030440
-
-
R. Sumathi, H. H. Carstensen, W. H. Green, J. Phys. Chem. A 2002, 106, 5474-5489.
-
(2002)
J. Phys. Chem. A
, vol.106
, pp. 5474-5489
-
-
Sumathi, R.1
Carstensen, H.H.2
Green, W.H.3
-
27
-
-
1642319732
-
-
M. Saeys, M. F. Reyniers, G. B. Marin, V. Van Speybroeck, M. Waroquier, AIChE J. 2004, 50, 426-444.
-
(2004)
AIChE J
, vol.50
, pp. 426-444
-
-
Saeys, M.1
Reyniers, M.F.2
Marin, G.B.3
Van Speybroeck, V.4
Waroquier, M.5
-
28
-
-
31144462390
-
-
M. Saeys, M. F. Reyniers, V. Van Speybroeck, M. Waroquier, G. B. Marin, ChemPhysChem 2006, 7, 188-199.
-
(2006)
ChemPhysChem
, vol.7
, pp. 188-199
-
-
Saeys, M.1
Reyniers, M.F.2
Van Speybroeck, V.3
Waroquier, M.4
Marin, G.B.5
-
29
-
-
38349065322
-
-
M. K. Sabbe, M. F. Reyniers, V. Van Speybroeck, M. Waroquier, G. B. Marin, ChemPhysChem 2008, 9, 124-140.
-
(2008)
ChemPhysChem
, vol.9
, pp. 124-140
-
-
Sabbe, M.K.1
Reyniers, M.F.2
Van Speybroeck, V.3
Waroquier, M.4
Marin, G.B.5
-
30
-
-
84948233518
-
-
D. L. Baulch, C. J. Cobos, R. A. Cox, C. Esser, P. Frank, T. Just, J. A. Kerr, M. J. Pilling, J. Troe, R. W. Walker, J. Warnatz, J. Phys. Chem. Ref. Data 1992, 21, 411-734.
-
(1992)
J. Phys. Chem. Ref. Data
, vol.21
, pp. 411-734
-
-
Baulch, D.L.1
Cobos, C.J.2
Cox, R.A.3
Esser, C.4
Frank, P.5
Just, T.6
Kerr, J.A.7
Pilling, M.J.8
Troe, J.9
Walker, R.W.10
Warnatz, J.11
-
31
-
-
33644799996
-
-
D. L. Baulch, C. T. Bowman, C. J. Cobos, R. A. Cox, T. Just, J. A. Kerr, M. J. Pilling, D. Stocker, J. Troe, W. Tsang, R. W. Walker, J. Warnatz, J. Phys. Chem. Ref. Data 2005, 34, 757-1397.
-
(2005)
J. Phys. Chem. Ref. Data
, vol.34
, pp. 757-1397
-
-
Baulch, D.L.1
Bowman, C.T.2
Cobos, C.J.3
Cox, R.A.4
Just, T.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
-
37
-
-
0001300489
-
-
T. Gilbert, T. L. Grebner, I. Fischer, P. Chen, J. Chem. Phys. 1999, 110, 5485-5488.
-
(1999)
P. Chen, J. Chem. Phys.
, vol.110
, pp. 5485-5488
-
-
Gilbert, T.1
Grebner, T.L.2
Fischer, I.3
-
38
-
-
0000621164
-
-
Y. Feng, J. T. Niiranen, A. Bencsura, V. D. Knyazev, D. Gutman, W. Tsang, J. Phys. Chem. 1993, 97, 871-880.
-
(1993)
J. Phys. Chem.
, vol.97
, pp. 871-880
-
-
Feng, Y.1
Niiranen, J.T.2
Bencsura, A.3
Knyazev, V.D.4
Gutman, D.5
Tsang, W.6
-
40
-
-
33748583177
-
-
M. T. Nguyen, S. Creve, L. G. Vanquickenborne, J. Phys. Chem. 1996, 100, 18422-18425.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 18422-18425
-
-
Nguyen, M.T.1
Creve, S.2
Vanquickenborne, L.G.3
-
41
-
-
0000336004
-
-
Angew. Chem. Int. Ed. 2001, 40, 1340-1371.
-
H. Fischer, L. Radom, Angew. Chem. 2001, 113, 1380-1414; Angew. Chem. Int. Ed. 2001, 40, 1340-1371.
-
(2001)
Angew. Chem.
, vol.113
, pp. 1380-1414
-
-
Fischer, H.1
Radom, L.2
-
43
-
-
0034682266
-
-
J. S. Clarke, H. A. Rypkema, J. H. Kroll, N. M. Donahue, J. G. Anderson, J. Phys. Chem. A 2000, 104, 4458-4468.
-
(2000)
J. Phys. Chem. A
, vol.104
, pp. 4458-4468
-
-
Clarke, J.S.1
Rypkema, H.A.2
Kroll, J.H.3
Donahue, N.M.4
Anderson, J.G.5
-
46
-
-
0032503598
-
-
J. Villà, A. González-Lafont, J. M. Lluch, D. G. Truhlar, J. Am. Chem. Soc. 1998, 120, 5559-5567.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 5559-5567
-
-
Villà, J.1
González-Lafont, A.2
Lluch, J.M.3
Truhlar, D.G.4
-
47
-
-
0032567225
-
-
J. Villà, J. C. Corchado, A. González-Lafont, J. M. Lluch, D. G. Truhlar, J. Am. Chem. Soc. 1998, 120, 12141-12142.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 12141-12142
-
-
Villà, J.1
Corchado, J.C.2
González-Lafont, A.3
Lluch, J.M.4
Truhlar, D.G.5
-
48
-
-
0001428336
-
-
J. Villá, J. C. Corchado, A. González-Lafont, J. M. Lluch, D. G. Truhlar, J. Phys. Chem. A 1999, 103, 5061-5074.
-
(1999)
J. Phys. Chem. A
, vol.103
, pp. 5061-5074
-
-
Villá, J.1
Corchado, J.C.2
González-Lafont, A.3
Lluch, J.M.4
Truhlar, D.G.5
-
50
-
-
33749385421
-
-
E. T. Denisov, A. F. Shestakov, N. S. Emel'yanova, Kinet. Catal. 2006, 47, 647-661.
-
(2006)
Kinet. Catal.
, vol.47
, pp. 647-661
-
-
Denisov, E.T.1
Shestakov, A.F.2
Emel'yanova, N.S.3
-
52
-
-
0000340764
-
-
J. A. Montgomery, M. J. Frisch, J. W. Ochterski, G. A. Petersson, J. Chem. Phys. 1999, 110, 2822-2827.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 2822-2827
-
-
Montgomery, J.A.1
Frisch, M.J.2
Ochterski, J.W.3
Petersson, G.A.4
-
54
-
-
0242667840
-
-
M. Saeys, M. F. Reyniers, G. B. Marin, V. Van Speybroeck, M. Waroquier, J. Phys. Chem. A 2003, 107, 9147-9159.
-
(2003)
J. Phys. Chem. A
, vol.107
, pp. 9147-9159
-
-
Saeys, M.1
Reyniers, M.F.2
Marin, G.B.3
Van Speybroeck, V.4
Waroquier, M.5
-
55
-
-
0004209464
-
-
Gaussian03 (Revision B.03), Wallingford, CT
-
Gaussian03 (Revision B.03), M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, J. A. Montgomery, T. Vreven, K. N. Kudin, J. C. Burant, J. M. Millam, S. S. Iyengar, J. Tomasi, V. Barone, B. Mennucci, M. Cossi, G. Scalmani, N. Rega, G. A. Petersson, H. Nakatsuji, M. Hada, M. Ehara, K. Toyota, R. Fukuda, J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, M. Klene, X. Li, J. E. Knox, H. P. Hratchian, J. B. Cross, V. Bakken, C. Adamo, J. Jaramillo, R. Gomperts, R. E. Stratmann, O. Yazyev, A. J. Austin, R. Cammi, C. Pomelli, J. W. Ochterski, P. Y. Ayala, K. Morokuma, G. A. Voth, P. Salvador, J. J. Dannenberg, V. G. Zakrzewski, S. Dapprich, A. D. Daniels, M. C. Strain, O. Farkas, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. V. Ortiz, Q. Cui, A. G. Baboul, S. Clifford, J. Cioslowski, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, M. Challacombe, P. M. W. Gill, B. Johnson, W. Chen, M. W. Wong, C. Gonzalez, J. A. Pople, Gaussian, Inc., Wallingford, CT, 2004.
-
(2004)
Gaussian, Inc
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Montgomery, J.A.7
Vreven, T.8
Kudin, K.N.9
Burant, J.C.10
Millam, J.M.11
Iyengar, S.S.12
Tomasi, J.13
Barone, V.14
Mennucci, B.15
Cossi, M.16
Scalmani, G.17
Rega, N.18
Petersson, G.A.19
Nakatsuji, H.20
Hada, M.21
Ehara, M.22
Toyota, K.23
Fukuda, R.24
Hasegawa, J.25
Ishida, M.26
Nakajima, T.27
Honda, Y.28
Kitao, O.29
Nakai, H.30
Klene, M.31
Li, X.32
Knox, J.E.33
Hratchian, H.P.34
Cross, J.B.35
Bakken, V.36
Adamo, C.37
Jaramillo, J.38
Gomperts, R.39
Stratmann, R.E.40
Yazyev, O.41
Austin, A.J.42
Cammi, R.43
Pomelli, C.44
Ochterski, J.W.45
Ayala, P.Y.46
Morokuma, K.47
Voth, G.A.48
Salvador, P.49
Dannenberg, J.J.50
Zakrzewski, V.G.51
Dapprich, S.52
Daniels, A.D.53
Strain, M.C.54
Farkas, O.55
Malick, D.K.56
Rabuck, A.D.57
Raghavachari, K.58
Foresman, J.B.59
Ortiz, J.V.60
Cui, Q.61
Baboul, A.G.62
Clifford, S.63
Cioslowski, J.64
Stefanov, B.B.65
Liu, G.66
Liashenko, A.67
Piskorz, P.68
Komaromi, I.69
Martin, R.L.70
Fox, D.J.71
Keith, T.72
Al-Laham, M.A.73
Peng, C.Y.74
Nanayakkara, A.75
Challacombe, M.76
Gill, P.M.W.77
Johnson, B.78
Chen, W.79
Wong, M.W.80
Gonzalez, C.81
Pople, J.A.82
more..
-
56
-
-
0001503517
-
-
D. K. Malick, G. A. Petersson, J. A. Montgomery, J. Chem. Phys. 1998, 108, 5704-5713.
-
(1998)
J. Chem. Phys.
, vol.108
, pp. 5704-5713
-
-
Malick, D.K.1
Petersson, G.A.2
Montgomery, J.A.3
-
57
-
-
0004165224
-
-
3rd ed., Harper Collins, New York
-
K. J. Laidler, Chemical Kinetics, 3rd ed., Harper Collins, New York, 1987.
-
(1987)
Chemical Kinetics
-
-
Laidler, K.J.1
-
58
-
-
36149014576
-
-
C. Eckart, Phys. Rev. 1930, 35, 1303-1309.
-
(1930)
Phys. Rev.
, vol.35
, pp. 1303-1309
-
-
Eckart, C.1
-
59
-
-
0033559434
-
-
T. N. Truong, W. T. Duncan, M. Tirtowidjojo, Phys. Chem. Chem. Phys. 1999, 1, 1061-1065.
-
(1999)
Phys. Chem. Chem. Phys.
, vol.1
, pp. 1061-1065
-
-
Truong, T.N.1
Duncan, W.T.2
Tirtowidjojo, M.3
-
61
-
-
37049036132
-
-
A. G. Vandeputte, M. K. Sabbe, M. F. Reyniers, V. Van Speybroeck, M. Waroquier, G. B. Marin, J. Phys. Chem. A 2007, 111, 11771-11786.
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 11771-11786
-
-
Vandeputte, A.G.1
Sabbe, M.K.2
Reyniers, M.F.3
Van Speybroeck, V.4
Waroquier, M.5
Marin, G.B.6
-
62
-
-
34548585328
-
-
M. K. Sabbe, A. G. Vandeputte, M. F. Reyniers, V. Van Speybroeck, M. Waroquier, G. B. Marin, J. Phys. Chem. A 2007, 111, 8416-8428.
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 8416-8428
-
-
Sabbe, M.K.1
Vandeputte, A.G.2
Reyniers, M.F.3
Van Speybroeck, V.4
Waroquier, M.5
Marin, G.B.6
-
65
-
-
0024478640
-
-
M. A. Baltanas, K. K. Vanraemdonck, G. F. Froment, S. R. Mohedas, Ind. Eng. Chem. Res. 1989, 28, 899-910.
-
(1989)
Ind. Eng. Chem. Res.
, vol.28
, pp. 899-910
-
-
Baltanas, M.A.1
Vanraemdonck, K.K.2
Froment, G.F.3
Mohedas, S.R.4
-
66
-
-
34047239178
-
-
L. K. Huynh, S. Panasewicz, A. Ratkiewicz, T. N. Truong, J. Phys. Chem. A 2007, 111, 2156-2165.
-
(2007)
J. Phys. Chem. A
, vol.111
, pp. 2156-2165
-
-
Huynh, L.K.1
Panasewicz, S.2
Ratkiewicz, A.3
Truong, T.N.4
-
67
-
-
2942752237
-
-
A. Violi, T. N. Truong, A. F. Sarofim, J. Phys. Chem. A 2004, 108, 4846-4852.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 4846-4852
-
-
Violi, A.1
Truong, T.N.2
Sarofim, A.F.3
-
68
-
-
85081282918
-
-
D. F. Nava, M. B. Mitchell, L. J. Stief, J. Geophys. Res. A 1986, 91, 4585-4589.
-
(1986)
J. Geophys. Res. A
, vol.91
, pp. 4585-4589
-
-
Nava, D.F.1
Mitchell, M.B.2
Stief, L.J.3
-
69
-
-
0003450764
-
-
Chemical Kinetics Database, (Web version), Release 1.4.2, Data version 08.09
-
Chemical Kinetics Database, NIST Standard Reference Database 17, (Web version), Release 1.4.2, Data version 08.09. http://kinetics.nist.gov/.
-
NIST Standard Reference Database 17
-
-
-
71
-
-
33645666197
-
-
L. N. Krasnoperov, J. P. Peng, P. Marshall, J. Phys. Chem. A 2006, 110, 3110-3120.
-
(2006)
J. Phys. Chem. A
, vol.110
, pp. 3110-3120
-
-
Krasnoperov, L.N.1
Peng, J.P.2
Marshall, P.3
-
72
-
-
24944548004
-
-
M. K. Sabbe, M. Saeys, M. F. Reyniers, G. B. Marin, V. Van Speybroeck, M. Waroquier, J. Phys. Chem. A 2005, 109, 7466-7480.
-
(2005)
J. Phys. Chem. A
, vol.109
, pp. 7466-7480
-
-
Sabbe, M.K.1
Saeys, M.2
Reyniers, M.F.3
Marin, G.B.4
Van Speybroeck, V.5
Waroquier, M.6
-
73
-
-
57449113858
-
-
M. K. Sabbe, F. De Vleeschouwer, M. F. Reyniers, M. Waroquier, G. B. Marin, J. Phys. Chem. A 2008, 112, 12235-12251.
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 12235-12251
-
-
Sabbe, M.K.1
De Vleeschouwer, F.2
Reyniers, M.F.3
Waroquier, M.4
Marin, G.B.5
|