-
1
-
-
0027012270
-
-
The Combustion Institute: Pittsburgh, PA
-
Bohm, H.; Feldermann, C.; Heidermann, T.; Jander, H.; Luters, B.; Wagner, H. Gg. Twenty-Fourth Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1992; p 991.
-
(1992)
Twenty-fourth Symposium (International) on Combustion
, pp. 991
-
-
Bohm, H.1
Feldermann, C.2
Heidermann, T.3
Jander, H.4
Luters, B.5
Wagner, H.Gg.6
-
3
-
-
0027012220
-
-
The Combustion Institute: Pittsburgh, PA
-
Chen, N.-H.; Rogg, B.; Bray, K. N. C. Twenty-Fourth Symposium (International) on Combustion; The Combustion Institute: Pittsburgh, PA, 1992; p 1513.
-
(1992)
Twenty-fourth Symposium (International) on Combustion
, pp. 1513
-
-
Chen, N.-H.1
Rogg, B.2
Bray, K.N.C.3
-
7
-
-
0020884681
-
-
Plenum Press: New York
-
Bittner, J. D.; Howard, J. B.; Palmer, H. B. NATO Conference Series, 6: Materials Science; Plenum Press: New York, 1983; Vol. 7, p 95.
-
(1983)
NATO Conference Series, 6: Materials Science
, vol.7
, pp. 95
-
-
Bittner, J.D.1
Howard, J.B.2
Palmer, H.B.3
-
8
-
-
0000146601
-
-
Park, J.-Y.; Heaven, M. C.; Gutman, D. Chem. Phys. Lett. 1984, 104, 469.
-
(1984)
Chem. Phys. Lett.
, vol.104
, pp. 469
-
-
Park, J.-Y.1
Heaven, M.C.2
Gutman, D.3
-
9
-
-
0021757968
-
-
Slagle, I. R.; Park, J.-Y.; Heaven, M. C.; Gutman, D. J. Am. Chem. Soc. 1984, 106, 4356.
-
(1984)
J. Am. Chem. Soc.
, vol.106
, pp. 4356
-
-
Slagle, I.R.1
Park, J.-Y.2
Heaven, M.C.3
Gutman, D.4
-
15
-
-
22944488927
-
-
Yang, R.; Yu, L.; Jin, X.; Zhou, M.; Carpenter, B. K. J. Chem. Phys. 2005, 122, 014511.
-
(2005)
J. Chem. Phys.
, vol.122
, pp. 014511
-
-
Yang, R.1
Yu, L.2
Jin, X.3
Zhou, M.4
Carpenter, B.K.5
-
16
-
-
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
-
18
-
-
36449008175
-
-
Mebel, A. M.; Morokuma, K.; Lin, M. C. J. Chem. Phys. 1995, 103, 7414.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 7414
-
-
Mebel, A.M.1
Morokuma, K.2
Lin, M.C.3
-
19
-
-
0000109748
-
-
(a) Curtiss, L. A.; Raghavachari, K.; Redfern, 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
Redfern, P.C.3
Pople, J.A.4
-
20
-
-
22244474611
-
-
(b) Curtiss, L. A.; Redfern, P. C.; Raghavachari, K.; Pople, J. A. J. Chem. Phys. 1998, 109, 42.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 42
-
-
Curtiss, L.A.1
Redfern, P.C.2
Raghavachari, K.3
Pople, J.A.4
-
21
-
-
0032558947
-
-
(c) Petersson, G. A.; Malick, D. K.; Wilson, W. G.; Montgomery, J. A., Jr.; Frisch, M. J. J. Chem. Phys. 1998, 109, 10570.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 10570
-
-
Petersson, G.A.1
Malick, D.K.2
Wilson, W.G.3
Montgomery Jr., J.A.4
Frisch, M.J.5
-
23
-
-
0035891058
-
-
Sølling, T. I.; Smith, D. M.; Radom, L.; Freitag, M. A.; Gordon, M. S. J. Chem. Phys. 2001, 115, 8758.
-
(2001)
J. Chem. Phys.
, vol.115
, pp. 8758
-
-
Sølling, T.I.1
Smith, D.M.2
Radom, L.3
Freitag, M.A.4
Gordon, M.S.5
-
24
-
-
24344484431
-
-
note
-
All CASSCF, CASPT2, MRCI, and CCSD(T) calculations in this work were performed using MOLPRO 2002.6. MOLPRO is a package of ab initio programs written by Werner, H.-J.; Knowles, P. J.; Schütz, M.; Lindh, R.; Celani, P.; Korona, T.; Rauhut, G.; Manby, F. R.; Amos, R. D.; Bernhardsson, A.; Berning, A.; Cooper, D. L.; Deegan, M. J. O.; Dobbyn, A. J.; Eckert, F.; Hampel, C.; Hetzer, G.; Lloyd, A. W.; McNicholas, S. J.; Meyer, W.; Mura, M. E.; Nicklass, A.; Palmieri, P.; Pitzer, R.; Schumann, U.; Stoll, H.; Stone, A. J.; Tarroni, R.; Thorsteinsson, T. University College Cardiff Consultants Ltd., 2004. MP2 and MP4 calculations required for G3 schemes were carried out employing Gaussian 98: Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; 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.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, I.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon, M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.11; Gaussian, Inc.: Pittsburgh, PA, 1998.
-
-
-
-
25
-
-
0012154673
-
-
Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Rassolov, V.; Pople, J. A. J. Chem. Phys. 1998, 109, 7764.
-
(1998)
J. Chem. Phys.
, vol.109
, pp. 7764
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfern, P.C.3
Rassolov, V.4
Pople, J.A.5
-
26
-
-
0000543185
-
-
(b) Baboul, A. G.; Curtiss, L. A.; Redfern, P. C.; Raghavachari, K. J. Chem. Phys. 1999, 110, 7650.
-
(1999)
J. Chem. Phys.
, vol.110
, pp. 7650
-
-
Baboul, A.G.1
Curtiss, L.A.2
Redfern, P.C.3
Raghavachari, K.4
-
27
-
-
0001273491
-
-
(c) Curtiss, L. A.; Raghavachari, K.; Redfern, P. C.; Baboul, A. G.; Pople, J. A. Chem. Phys. Lett. 1999, 314, 101.
-
(1999)
Chem. Phys. Lett.
, vol.314
, pp. 101
-
-
Curtiss, L.A.1
Raghavachari, K.2
Redfern, P.C.3
Baboul, A.G.4
Pople, J.A.5
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