-
1
-
-
4043168548
-
-
Jackson, W. M.; Anex, D. S.; Continetti, R. E.; Lee, Y. T. J. Phys. Chem. 1991, 95, 7327.
-
(1991)
J. Phys. Chem.
, vol.95
, pp. 7327
-
-
Jackson, W.M.1
Anex, D.S.2
Continetti, R.E.3
Lee, Y.T.4
-
2
-
-
0000261304
-
-
Song, X.; Bao, Y.; Urdahl, R. S.; Gosine, J. N.; Jackson, W. M. Chem. Phys. Lett. 1994, 217, 216.
-
(1994)
Chem. Phys. Lett.
, vol.217
, pp. 216
-
-
Song, X.1
Bao, Y.2
Urdahl, R.S.3
Gosine, J.N.4
Jackson, W.M.5
-
3
-
-
0011575765
-
-
Newburn, R. L., Ed.; Kluwer Academic Publishers: Amsterdam
-
Jackson, W. M. In Comets in the Post-Halley Era; Newburn, R. L., Ed.; Kluwer Academic Publishers: Amsterdam, 1991; Vol. 1, p 313.
-
(1991)
Comets in the Post-Halley Era
, vol.1
, pp. 313
-
-
Jackson, W.M.1
-
4
-
-
0343588844
-
-
The Combustion Institute: Pittsburgh, PA
-
Slagle, I. R.; Gutman, D. In Twenty-First Symposium (Interanational) on Combustion, The Combustion Institute: Pittsburgh, PA, 1986, p 875.
-
(1986)
Twenty-First Symposium (Interanational) on Combustion
, pp. 875
-
-
Slagle, I.R.1
Gutman, D.2
-
7
-
-
4043167128
-
-
Wilkening, L. L., Ed.; University of Arizona: Tempe, AZ
-
Jackson, W. M. In Laboratory studies of photochemical and spectroscopic phenomena related to comets, Wilkening, L. L., Ed.; University of Arizona: Tempe, AZ, 1982; p 480.
-
(1982)
Laboratory Studies of Photochemical and Spectroscopic Phenomena Related to Comets
, pp. 480
-
-
Jackson, W.M.1
-
8
-
-
33845377199
-
-
Honjou, N.; Pacansky, J.; Yoshimine, M. J. Am. Chem. Soc. 1985, 107, 5322.
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 5322
-
-
Honjou, N.1
Pacansky, J.2
Yoshimine, M.3
-
9
-
-
0000899668
-
-
Yoshimine, M.; Pacansky, J.; Honjou, N. J. Am. Chem. Soc. 1989, 111, 2785.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 2785
-
-
Yoshimine, M.1
Pacansky, J.2
Honjou, N.3
-
10
-
-
0000957361
-
-
Yoshimine, M.; Pacansky, J.; Honjou, N. J. Am. Chem. Soc. 1989, 111, 4198.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 4198
-
-
Yoshimine, M.1
Pacansky, J.2
Honjou, N.3
-
11
-
-
0000234648
-
-
Honjou, N.; Yoshimine, M.; Pacansky, J. J. Phys. Chem. 1987, 91, 4455.
-
(1987)
J. Phys. Chem.
, vol.91
, pp. 4455
-
-
Honjou, N.1
Yoshimine, M.2
Pacansky, J.3
-
13
-
-
77956779984
-
-
(b) Ibid. 1992, 96, 2155;
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 2155
-
-
-
14
-
-
0001161681
-
-
(c) Ibid. 1992, 97, 9173.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 9173
-
-
-
15
-
-
0345491105
-
-
(d) Lee, C.; Yang, W.; Parr, R. G. Phys. Rev. 1988, B37, 785.
-
(1988)
Phys. Rev.
, vol.B37
, pp. 785
-
-
Lee, C.1
Yang, W.2
Parr, R.G.3
-
16
-
-
84873055189
-
-
Wiley: New York
-
For the description of basis sets of the 6-311G(d,p) type, see: Hehre, W. J.; Radom, L.; Schleyer, P. v. R.; Pople, J. Ab Initio Molecular Orbital Theory; Wiley: New York, 1986.
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Hehre, W.J.1
Radom, L.2
Schleyer, P.V.R.3
Pople, J.4
-
18
-
-
36549098398
-
-
(b) Scuseria, G. E.; Janssen, C. L.; Schaefer, H. F., III J. Chem. Phys. 1988, 89, 7382;
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 7382
-
-
Scuseria, G.E.1
Janssen, C.L.2
Schaefer III, H.F.3
-
20
-
-
0011682081
-
-
(d) Pople, J. A.; Head-Gordon, M.; Raghavachari, K. J. Chem. Phys. 1987, 87, 5968.
-
(1987)
J. Chem. Phys.
, vol.87
, pp. 5968
-
-
Pople, J.A.1
Head-Gordon, M.2
Raghavachari, K.3
-
23
-
-
36449008175
-
-
(a) 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
-
24
-
-
33751155672
-
-
(b) Mebel, A. M.; Morokuma, K.; Lin, M. C.; Melius, C. F. J. Phys. Chem. 1995, 99, 1900.
-
(1995)
J. Phys. Chem.
, vol.99
, pp. 1900
-
-
Mebel, A.M.1
Morokuma, K.2
Lin, M.C.3
Melius, C.F.4
-
25
-
-
0346632288
-
-
(c) Mebel, A. M.; Morokuma, K.; Lin, M. C. J. Chem. Phys. 1995, 103, 3440;
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 3440
-
-
Mebel, A.M.1
Morokuma, K.2
Lin, M.C.3
-
28
-
-
37049091195
-
-
(b) Bernardi, F.; Bottoni, A.; McDougall, J. J. W.; Robb, M. A.; Schlegel, H. B. Faraday Symp. Chem. Soc. 1984, 19, 137.
-
(1984)
Faraday Symp. Chem. Soc.
, vol.19
, pp. 137
-
-
Bernardi, F.1
Bottoni, A.2
McDougall, J.J.W.3
Robb, M.A.4
Schlegel, H.B.5
-
31
-
-
0000703066
-
-
Foresman, J. B.; Head-Gordon, M.; Pople, J. A.; Frisch, M. J. J. Phys. Chem. 1992, 96, 135.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 135
-
-
Foresman, J.B.1
Head-Gordon, M.2
Pople, J.A.3
Frisch, M.J.4
-
34
-
-
0042106817
-
-
Widmark, P.-O.; Malmqvist, P.-Å.; Roos, B. O. Theor. Chim. Acta 1990, 77, 291.
-
(1990)
Theor. Chim. Acta
, vol.77
, pp. 291
-
-
Widmark, P.-O.1
Malmqvist, P.-Å.2
Roos, B.O.3
-
35
-
-
0004705927
-
-
Serrano-Andres, L.; Merchan, M.; Nebot-Gil, I.; Lindh, R.; Roos, B. O. J. Chem. Phys. 1993, 98, 3151.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 3151
-
-
Serrano-Andres, L.1
Merchan, M.2
Nebot-Gil, I.3
Lindh, R.4
Roos, B.O.5
-
37
-
-
0006621384
-
-
Wiberg, K. B.; Hadad, C. M.; Foresman, J. B.; Chupka, W. A. J. Phys. Chem. 1992, 96, 10756.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 10756
-
-
Wiberg, K.B.1
Hadad, C.M.2
Foresman, J.B.3
Chupka, W.A.4
-
38
-
-
4043120527
-
-
note
-
MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. D. Amos, M. J. O. Deegan, S. T. Elbert, C. Hampel, W. Meyer, K. Peterson, R. Pitzer, A. J. Stone, P. R. Taylor, and R. Lindh.
-
-
-
-
39
-
-
0004133516
-
-
Gaussian, Inc.; Pittsburgh: PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. GAUSSIAN 94, Revision B.2; Gaussian, Inc.; Pittsburgh: PA, 1995.
-
(1995)
GAUSSIAN 94, Revision B.2
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
-
40
-
-
4043162832
-
-
Stanton, J. F.; Gauss, J.; Watts, J. D.; Lauderdale, W. J.; Bartlett, R. J. ACES-II, University of Florida
-
Stanton, J. F.; Gauss, J.; Watts, J. D.; Lauderdale, W. J.; Bartlett, R. J. ACES-II, University of Florida.
-
-
-
-
42
-
-
10044260375
-
-
Rabalais, J. W.; McDonald, J. M.; Scherr, V.; McGlynn, S. P. Chem Rev. 1971, 71, 73.
-
(1971)
Chem Rev.
, vol.71
, pp. 73
-
-
Rabalais, J.W.1
McDonald, J.M.2
Scherr, V.3
McGlynn, S.P.4
-
43
-
-
0013682690
-
-
Iverson, A. A.; Russell, B. R. Spectrochim. Acta, Part A 1972, 28, 447.
-
(1972)
Spectrochim. Acta, Part A
, vol.28
, pp. 447
-
-
Iverson, A.A.1
Russell, B.R.2
-
45
-
-
33845561172
-
-
Rauk, A.; Drake, A. F.; Mason, S. F. J. Am. Chem. Soc. 1979, 101, 2284.
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 2284
-
-
Rauk, A.1
Drake, A.F.2
Mason, S.F.3
-
48
-
-
0000602426
-
-
Seeger, R.; Krishnan, R.; Pople, J. A.; Schleyer, P. v. R. J. Am. Chem. Soc. 1977, 99, 7103.
-
(1977)
J. Am. Chem. Soc.
, vol.99
, pp. 7103
-
-
Seeger, R.1
Krishnan, R.2
Pople, J.A.3
Schleyer, P.V.R.4
-
49
-
-
4043154285
-
-
Martin, P. S.; Yates, K.; Csizmadia, I. G. J. Mol. Struct. (THEOCHEM) 1988, 170, 107.
-
(1988)
J. Mol. Struct. (THEOCHEM)
, vol.170
, pp. 107
-
-
Martin, P.S.1
Yates, K.2
Csizmadia, I.G.3
-
50
-
-
0011962430
-
-
(a) Valtazanos, P.; Elbert, S. T.; Xantheas, S.; Ruedenberg, K. Theor. Chim. Acta 1991, 78, 287.
-
(1991)
Theor. Chim. Acta
, vol.78
, pp. 287
-
-
Valtazanos, P.1
Elbert, S.T.2
Xantheas, S.3
Ruedenberg, K.4
-
51
-
-
0009425377
-
-
(b) Xantheas, S.; Elbert, S. T.; Ruedenberg, K. Theor. Chim. Acta 1991, 78, 365.
-
(1991)
Theor. Chim. Acta
, vol.78
, pp. 365
-
-
Xantheas, S.1
Elbert, S.T.2
Ruedenberg, K.3
-
52
-
-
0030567908
-
-
Bettinger, H. F.; Schreiner, P. R.; Schleyer, P. v. R.; Schaefer, III, H. F. J. Phys. Chem. 1996, 100, 16147.
-
(1996)
J. Phys. Chem.
, vol.100
, pp. 16147
-
-
Bettinger, H.F.1
Schreiner, P.R.2
Schleyer, P.V.R.3
Schaefer III, H.F.4
-
53
-
-
84982077668
-
-
Roth, W. R.; Ruf, G.; Ford, P. W. Chem. Ber. 1974, 107, 48.
-
(1974)
Chem. Ber.
, vol.107
, pp. 48
-
-
Roth, W.R.1
Ruf, G.2
Ford, P.W.3
-
56
-
-
0030576460
-
-
(a) Mebel, A. M.; Chen, Y. T.; Lin, S. H. Chem. Phys. Lett. 1996, 258, 53.
-
(1996)
Chem. Phys. Lett.
, vol.258
, pp. 53
-
-
Mebel, A.M.1
Chen, Y.T.2
Lin, S.H.3
-
57
-
-
0030290016
-
-
(b) Mebel, A. M.; Chen, Y. T.; Lin, S. H. J. Chem. Phys 1996, 105, 9007.
-
(1996)
J. Chem. Phys
, vol.105
, pp. 9007
-
-
Mebel, A.M.1
Chen, Y.T.2
Lin, S.H.3
-
58
-
-
0030850080
-
-
Seburg, R. A.; Patterson, E. V.; Stanton, J. F.; McMahon, R. J. J. Am. Chem. Soc. 1997, 119, 5847.
-
(1997)
J. Am. Chem. Soc.
, vol.119
, pp. 5847
-
-
Seburg, R.A.1
Patterson, E.V.2
Stanton, J.F.3
McMahon, R.J.4
-
59
-
-
0000849232
-
-
Robinson, M. S.; Polak, M. L.; Bierbaum, V. M.; DePuy, C. H.; Lineberger, W. C. J. Am. Chem. Soc. 1995, 117, 6766.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 6766
-
-
Robinson, M.S.1
Polak, M.L.2
Bierbaum, V.M.3
DePuy, C.H.4
Lineberger, W.C.5
-
60
-
-
0001579057
-
-
Raghavachari, K.; Frisch, M. J.; Pople, J. A.; Schleyer, P. v. R. Chem. Phys. Lett. 1982, 85, 145.
-
(1982)
Chem. Phys. Lett.
, vol.85
, pp. 145
-
-
Raghavachari, K.1
Frisch, M.J.2
Pople, J.A.3
Schleyer, P.V.R.4
-
61
-
-
0000652683
-
-
Jonas, V.; Böhme, M.; Frenking, G. J. Phys. Chem. 1992, 96, 1640.
-
(1992)
J. Phys. Chem.
, vol.96
, pp. 1640
-
-
Jonas, V.1
Böhme, M.2
Frenking, G.3
-
62
-
-
0001436382
-
-
(a) Cromwell, E. F.; Stolow, A.; Vrakking, J. J.; Lee, Y. T. J. Chem. Phys. 1992, 97, 4029.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 4029
-
-
Cromwell, E.F.1
Stolow, A.2
Vrakking, J.J.3
Lee, Y.T.4
-
63
-
-
4043172815
-
-
private communications
-
(b) Stolow, A., private communications.
-
-
-
Stolow, A.1
|