-
1
-
-
33845470825
-
-
Slagle, I. R.; Feng, Q.; Gutman, D. J. Phys. Chem. 1984, 88, 3648.
-
(1984)
J. Phys. Chem.
, vol.88
, pp. 3648
-
-
Slagle, I.R.1
Feng, Q.2
Gutman, D.3
-
3
-
-
33845182991
-
-
(a) Kaiser, E. W.; Rimai, L.; Wallington, T. J. J. Phys. Chem. 1989, 93, 4094.
-
(1989)
J. Phys. Chem.
, vol.93
, pp. 4094
-
-
Kaiser, E.W.1
Rimai, L.2
Wallington, T.J.3
-
4
-
-
0000026772
-
-
(b) Kaiser, E. W.; Wallington, T. J.; Andino, J. M. Chem. Phys. Lett. 1990, 186, 309.
-
(1990)
Chem. Phys. Lett.
, vol.186
, pp. 309
-
-
Kaiser, E.W.1
Wallington, T.J.2
Andino, J.M.3
-
5
-
-
0000990046
-
-
(c) Kaiser, E. W.; Lorkovic, I. M.; Wallington, T. J. J. Phys. Chem. 1990, 94, 3352.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 3352
-
-
Kaiser, E.W.1
Lorkovic, I.M.2
Wallington, T.J.3
-
9
-
-
0011583352
-
-
Brouard, M.; Lightfbot, P. D.; Pilling, M. J. J. Phys. Chem. 1986, 90, 445.
-
(1986)
J. Phys. Chem.
, vol.90
, pp. 445
-
-
Brouard, M.1
Lightfbot, P.D.2
Pilling, M.J.3
-
11
-
-
0037833853
-
-
Wagner, A. F.; Slagle, I. R.; Sarzynski, D.; Gutman, D. J. Phys. Chem. 1990, 94, 1858.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 1858
-
-
Wagner, A.F.1
Slagle, I.R.2
Sarzynski, D.3
Gutman, D.4
-
12
-
-
37049076452
-
-
Baldwin, R. W.; Dean, C. E.; Walker, R. W. J. Chem. Soc., Faraday Trans. 2 1986, 82, 1445.
-
(1986)
J. Chem. Soc., Faraday Trans. 2
, vol.82
, pp. 1445
-
-
Baldwin, R.W.1
Dean, C.E.2
Walker, R.W.3
-
13
-
-
0040360529
-
-
Gulati, S. K.; Mather, S.; Walker, R. W. J. Chem. Soc., Faraday Trans. 2 1987, 83, 2171.
-
(1987)
J. Chem. Soc., Faraday Trans. 2
, vol.83
, pp. 2171
-
-
Gulati, S.K.1
Mather, S.2
Walker, R.W.3
-
14
-
-
0001537414
-
-
Ignatyev, I. S.; Xie, Y.; Allen, W. D.; Schaefer, H. F. J. Chem. Phys. 1997, 107, 141.
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 141
-
-
Ignatyev, I.S.1
Xie, Y.2
Allen, W.D.3
Schaefer, H.F.4
-
15
-
-
0000080444
-
-
Jungkamp, T. P. W.; Smith, J. N.; Seinfeld, J. H. J. Phys. Chem. 1997, 101, 4392.
-
(1997)
J. Phys. Chem.
, vol.101
, pp. 4392
-
-
Jungkamp, T.P.W.1
Smith, J.N.2
Seinfeld, J.H.3
-
16
-
-
0001574427
-
-
Atri, M. G.; Baldwin, R. R.; Evans, G. A.; Walker, R. W. J. Chem. Soc., Faraday Trans. 1 1978, 74, 366.
-
(1978)
J. Chem. Soc., Faraday Trans. 1
, vol.74
, pp. 366
-
-
Atri, M.G.1
Baldwin, R.R.2
Evans, G.A.3
Walker, R.W.4
-
17
-
-
37049100569
-
-
Baldwin, R. R.; Hisham, M. W.; Keen, A.; Walker, R. W. J. Chem. Soc., Faraday Trans. 1 1982, 78, 1165.
-
(1982)
J. Chem. Soc., Faraday Trans. 1
, vol.78
, pp. 1165
-
-
Baldwin, R.R.1
Hisham, M.W.2
Keen, A.3
Walker, R.W.4
-
19
-
-
0042314618
-
-
Lenhardt, T. M.; McDade, C. E.; Bayes, K. D. J. Chem. Phys. 1990, 94, 8.
-
(1990)
J. Chem. Phys.
, vol.94
, pp. 8
-
-
Lenhardt, T.M.1
McDade, C.E.2
Bayes, K.D.3
-
22
-
-
0003465347
-
-
Available from the authors School of Chemistry. Sydney University, NSW 2006, Australia; e-mail: gilbert_r@summer.chem.su.oz.au
-
(b) Gilbert, R. G.: Smith, S. C.; Jordan, M. J. T. UNIMOL program suite (calculation of falloff curves for unimolecular and recombination reactions), 1993. Available from the authors (School of Chemistry. Sydney University, NSW 2006, Australia; e-mail: gilbert_r@summer.chem.su.oz.au.
-
(1993)
UNIMOL Program Suite (Calculation of Falloff Curves for Unimolecular and Recombination Reactions)
-
-
Gilbert, R.G.1
Smith, S.C.2
Jordan, M.J.T.3
-
23
-
-
0041813919
-
-
Exxon Corp. Res.: Annandale NJ. Personal communication
-
Dean, A. M.; Chang, A. Y.; Exxon Corp. Res.: Annandale NJ. Personal communication
-
-
-
Dean, A.M.1
Chang, A.Y.2
-
24
-
-
0028441805
-
-
Knyazev, V. D.; Dubinsky, I. A.; Slagle, I. R.; Gutman, D. J. Phys. Chem. 1994, 98, 5279.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 5279
-
-
Knyazev, V.D.1
Dubinsky, I.A.2
Slagle, I.R.3
Gutman, D.4
-
26
-
-
0030134506
-
-
Lay T. H.; Krasnoperov, L. N.; Venanzi, C. A.; Bozzelli, J. W. J. Phys. Chem. 1996, 100, 8240.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 8240
-
-
Lay, T.H.1
Krasnoperov, L.N.2
Venanzi, C.A.3
Bozzelli, J.W.4
-
27
-
-
0031101934
-
-
Lay, T. H.; Yamada, T.; Bozzelli, J. W. J. Phys. Chem. 1997, 101, 13, 2471.
-
(1997)
J. Phys. Chem.
, vol.101
, Issue.13
, pp. 2471
-
-
Lay, T.H.1
Yamada, T.2
Bozzelli, J.W.3
-
29
-
-
0000819974
-
-
Lay, T. H.; Bozzelli, J. W.; Dean, A. M.; Ritter, E. R. J. Phys. Chem. 1995, 99, 14514.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 14514
-
-
Lay, T.H.1
Bozzelli, J.W.2
Dean, A.M.3
Ritter, E.R.4
-
33
-
-
0004133516
-
-
Gaussian Inc.: Pittsburgh
-
Frisch, M. J.; Truck, G. W.; Head-Gordon, M.; Gill, P. M. W.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schelgel, H. B.; Robb, M. A.; Peplogle, E. S.; Gromperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. Gaussian 94 Computer Program, revision C.2; Gaussian Inc.: Pittsburgh. 1995.
-
(1995)
Gaussian 94 Computer Program, Revision C.2
-
-
Frisch, M.J.1
Truck, G.W.2
Head-Gordon, M.3
Gill, P.M.W.4
Wong, M.W.5
Foresman, J.B.6
Johnson, B.G.7
Schelgel, H.B.8
Robb, M.A.9
Peplogle, E.S.10
Gromperts, R.11
Andres, J.L.12
Raghavachari, K.13
Binkley, J.S.14
Gonzalez, C.15
Martin, R.L.16
Fox, D.J.17
Defrees, D.J.18
Baker, J.19
Stewart, J.J.P.20
Pople, J.A.21
more..
-
34
-
-
0003996909
-
-
Frank, J. Seiler Research Lab., US Air Force Academy: Colorado. PC-Windows 95 version complied by C. Sheng NJIT
-
Stewart, J. J. P. MOPAC 6.0; Frank, J. Seiler Research Lab., US Air Force Academy: Colorado. 1990. PC-Windows 95 version complied by C. Sheng NJIT.
-
(1990)
MOPAC 6.0
-
-
Stewart, J.J.P.1
-
35
-
-
0000215083
-
-
Montgomery, J. A.; Ochterski, J. W.; Petersson, G. A. J. Chem. Phys. 1994, 101, 5900.
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 5900
-
-
Montgomery, J.A.1
Ochterski, J.W.2
Petersson, G.A.3
-
36
-
-
1142296589
-
-
Ochterski, J. W.; Petersson, G. A.; Wiberg, K. B. J. Am. Chem. Soc. 1995, 117, 11299.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 11299
-
-
Ochterski, J.W.1
Petersson, G.A.2
Wiberg, K.B.3
-
37
-
-
0038269037
-
-
Ochterski, J. W.; Petersson, G. A.; Montgomery, J. A. J. Chem. Phys. 1996, 104, 2598.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 2598
-
-
Ochterski, J.W.1
Petersson, G.A.2
Montgomery, J.A.3
-
39
-
-
0042314616
-
-
Petersson, G. A.; Malick, D. K.; Wilson, W. G.; Ochterski, J. W.; Montgomery, J. A.; Frish, M. J. J. Chem. Phys. 1998, 109, 1057.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 1057
-
-
Petersson, G.A.1
Malick, D.K.2
Wilson, W.G.3
Ochterski, J.W.4
Montgomery, J.A.5
Frish, M.J.6
-
42
-
-
0031104192
-
-
Bozzelli J. W.; Chang, A. Y.; Dean, A. M. Int. J. Chem. Kinet. 1997, 29 (3), 161.
-
(1997)
Int. J. Chem. Kinet.
, vol.29
, Issue.3
, pp. 161
-
-
Bozzelli, J.W.1
Chang, A.Y.2
Dean, A.M.3
-
45
-
-
0022865679
-
-
Westmoreland, P. R.; Howard, J. B.; Longwell, J. P.; Dean, A. M. AICHE annual meeting 1986, 32, 1971.
-
(1986)
AICHE Annual Meeting
, vol.32
, pp. 1971
-
-
Westmoreland, P.R.1
Howard, J.B.2
Longwell, J.P.3
Dean, A.M.4
-
50
-
-
0001168673
-
-
Baldwin, R. R.; Pickering, I. A.; Walker, R. W. J. Chem. Soc., Faraday Trans. 1 1980, 76, 2374.
-
(1980)
J. Chem. Soc., Faraday Trans. 1
, vol.76
, pp. 2374
-
-
Baldwin, R.R.1
Pickering, I.A.2
Walker, R.W.3
-
54
-
-
0040360529
-
-
Gulati, S. K.; Mather, S.; Walker, R. W. J. Chem. Soc., Faraday Trans. 2 1987, 83, 2171-2179.
-
(1987)
J. Chem. Soc., Faraday Trans. 2
, vol.83
, pp. 2171-2179
-
-
Gulati, S.K.1
Mather, S.2
Walker, R.W.3
-
55
-
-
0024711389
-
-
Wilk, R. D.; Cernansky, N. P.; Pitz, W. J.; Westbrook, C. K. Combust. Flame 1989, 77, 145.
-
(1989)
Combust. Flame
, vol.77
, pp. 145
-
-
Wilk, R.D.1
Cernansky, N.P.2
Pitz, W.J.3
Westbrook, C.K.4
-
56
-
-
0041313311
-
-
Gardiner, W. C., Jr., Ed.; Springer-Verlag: New York. ISBN 0-387-98861-0
-
Dean, A. M.; Bozzelli, J. W. In Gas-Phase Combustion Chemistry II. Chapter 2: Combustion Chemistry of Nitrogen: Gardiner, W. C., Jr., Ed.; Springer-Verlag: New York. 1999 (ISBN 0-387-98861-0).
-
(1999)
Gas-Phase Combustion Chemistry II. Chapter 2: Combustion Chemistry of Nitrogen
-
-
Dean, A.M.1
Bozzelli, J.W.2
-
57
-
-
0000109748
-
-
Curtiss, L. A.; Raghavachari, K.; Redferm, P. C.; Pople, J. A. J. Chem. Phys. 1997, 106, 1063.
-
(1997)
J. Chem. Phys.
, vol.106
, pp. 1063
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redferm, P.C.3
Pople, J.A.4
-
61
-
-
0041813914
-
-
Gaussian Inc. Personal communication
-
Fox, D., Gaussian Inc. Personal communication.
-
-
-
Fox, D.1
-
62
-
-
0042314613
-
-
Wesleyan University, Middletown, Connecticut. Personal communication
-
Petersson, G. A., Wesleyan University, Middletown, Connecticut. Personal communication.
-
-
-
Petersson, G.A.1
-
64
-
-
0030577125
-
-
Mebel, A. M.; Diau, E. W. G.; Lin, M. C.; Morokuma, K. J. Am. Chem. Soc. 1996, 118, 9759.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 9759
-
-
Mebel, A.M.1
Diau, E.W.G.2
Lin, M.C.3
Morokuma, K.4
-
65
-
-
85085633572
-
2 Reaction (Application of ah Initio Calculation, CBS-q and G2)
-
in press
-
2 Reaction (Application of ah Initio Calculation, CBS-q and G2). J. Phys. Chem. in press.
-
J. Phys. Chem.
-
-
Yamada, T.1
Bozzelli, J.W.2
-
66
-
-
0042314614
-
Kinetic and Thermodynamic Analysis on OH Addition to Ethylene: Adduct Stabilization. Isomerization, and Isomer Dissociations
-
in press
-
Yamada, T.; Bozzelli, J. W. Kinetic and Thermodynamic Analysis on OH Addition to Ethylene: Adduct Stabilization. Isomerization, and Isomer Dissociations. J. Phys. Chem. in press.
-
J. Phys. Chem.
-
-
Yamada, T.1
Bozzelli, J.W.2
-
68
-
-
84951890711
-
-
Atkinson, R.; Baulch, D. L.; Cox, R. A.; Hampson, R. F., Jr.; Kerr, J. A.; Troe, J. J. Phys. Chem. Ref. Data 1989, 18, 881.
-
(1989)
J. Phys. Chem. Ref. Data
, vol.18
, pp. 881
-
-
Atkinson, R.1
Baulch, D.L.2
Cox, R.A.3
Hampson R.F., Jr.4
Kerr, J.A.5
Troe, J.6
-
70
-
-
0003520123
-
-
NIST Standard Reference Data: Gaithersburg, MD
-
Mallard, W. G.; Westley, F.; Herron, J. T.; Hampson, R. F. NIST Chemical Kinetics Database, version 6.0: NIST Standard Reference Data: Gaithersburg, MD. 1994.
-
(1994)
NIST Chemical Kinetics Database, Version 6.0
-
-
Mallard, W.G.1
Westley, F.2
Herron, J.T.3
Hampson, R.F.4
-
71
-
-
84948233518
-
-
Baulch, D. L.; Cobos, C. J.; Cox. R. A.; Esser. C.; Frank. P.; Just, Th.; Kerr, J. A.; Pilling, J.; Troe, J.; Walker, R. W.; Warnatz, J. J. Phys. Chem. Ref. Data 1992, 21, 411.
-
(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, J.8
Troe, J.9
Walker, R.W.10
Warnatz, J.11
-
73
-
-
84913023218
-
-
Atkinson, R.; Baulch, D. L.; Cox, R. A.; Hampson, R. F., Jr.; Kerr, J. A.; Troe, J. J. Phys. Chem. Ref. Data 1992, 21, 1125.
-
(1992)
J. Phys. Chem. Ref. Data
, vol.21
, pp. 1125
-
-
Atkinson, R.1
Baulch, D.L.2
Cox, R.A.3
Hampson R.F., Jr.4
Kerr, J.A.5
Troe, J.6
-
77
-
-
0041813901
-
-
Loser, U.; Scherzer, K.; Weber, K. Z. Phys. Chem. (Leipzig) 1989, 270, 237.
-
(1989)
Z. Phys. Chem. (Leipzig)
, vol.270
, pp. 237
-
-
Loser, U.1
Scherzer, K.2
Weber, K.3
-
80
-
-
37049100125
-
-
Ambidge, P. F.; Bradley, J. N.; Whytock, D. A. J. Chem. Soc., Faraday Trans. 1 1976, 72, 1870.
-
(1976)
J. Chem. Soc., Faraday Trans. 1
, vol.72
, pp. 1870
-
-
Ambidge, P.F.1
Bradley, J.N.2
Whytock, D.A.3
-
81
-
-
0001086336
-
-
Schwartz., M.; Marshall, P.; Berry, R. J.; Ehlers, C. J.; Petersson, G. A. J. Phys. Chem. 1998, 102, 10074.
-
(1998)
J. Phys. Chem.
, vol.102
, pp. 10074
-
-
Schwartz, M.1
Marshall, P.2
Berry, R.J.3
Ehlers, C.J.4
Petersson, G.A.5
-
87
-
-
0001117522
-
-
Biggs, P.; Canosa Mas, C. E.; Frachebourd, J. M.; Pan, A.; Shallcross, D. E.; Waynem R. P. J. Chem. Soc., Faraday Trans. 1993, 89, 4163.
-
(1993)
J. Chem. Soc., Faraday Trans.
, vol.89
, pp. 4163
-
-
Biggs, P.1
Canosa Mas, C.E.2
Frachebourd, J.M.3
Pan, A.4
Shallcross, D.E.5
Waynem, R.P.6
-
88
-
-
0031546267
-
-
Craig, S. L.; Zhong, M.; Choo, B.; Brauman, J. L. J. Phys. Chem. 1997, 101, 19.
-
(1997)
J. Phys. Chem.
, vol.101
, pp. 19
-
-
Craig, S.L.1
Zhong, M.2
Choo, B.3
Brauman, J.L.4
-
90
-
-
0004168476
-
-
Gardiner, W. C., Jr., Ed.; Springer-Verlag: New York
-
Troe, J. In Combustion Chemistry: Gardiner, W. C., Jr., Ed.; Springer-Verlag: New York. 1984.
-
(1984)
Combustion Chemistry
-
-
Troe, J.1
|