-
1
-
-
36549093622
-
-
Butler, L. J.; Hintsa, E. J.; Shane, S. F.; Lee, Y. T. J. Chem. Phys. 1987, 86, 2051.
-
(1987)
J. Chem. Phys.
, vol.86
, pp. 2051
-
-
Butler, L.J.1
Hintsa, E.J.2
Shane, S.F.3
Lee, Y.T.4
-
2
-
-
0000756208
-
-
Stevens, E. J.; Kitchen, D. C.; Waschewsky, G. C. G.; Butler, L. J. J. Chem. Phys. 1995, 102, 3179.
-
(1995)
J. Chem. Phys.
, vol.102
, pp. 3179
-
-
Stevens, E.J.1
Kitchen, D.C.2
Waschewsky, G.C.G.3
Butler, L.J.4
-
3
-
-
36449005187
-
-
Yokoyama, A.; Takayanagi, T.; Fujisawa, G. J. Chem. Phys. 1995, 103, 1710.
-
(1995)
J. Chem. Phys.
, vol.103
, pp. 1710
-
-
Yokoyama, A.1
Takayanagi, T.2
Fujisawa, G.3
-
4
-
-
0001549179
-
-
Person, M. D.; Kash, P. W.; Butler, L. J. J. Chem. Phys. 1992, 97, 355.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 355
-
-
Person, M.D.1
Kash, P.W.2
Butler, L.J.3
-
5
-
-
0000002029
-
-
Kash, P. W.; Waschewsky, G. C. G.; Butler, L. J.; Francl, M. M. J. Chem. Phys. 1993, 99, 4479.
-
(1993)
J. Chem. Phys.
, vol.99
, pp. 4479
-
-
Kash, P.W.1
Waschewsky, G.C.G.2
Butler, L.J.3
Francl, M.M.4
-
6
-
-
36449005300
-
-
Kash, P. W.; Waschewsky, G. C. G.; Morss, R. E.; Butler, L. J.; Francl, M. M. J. Chem. Phys. 1994, 100, 3463.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 3463
-
-
Kash, P.W.1
Waschewsky, G.C.G.2
Morss, R.E.3
Butler, L.J.4
Francl, M.M.5
-
9
-
-
0000545218
-
-
Doucet, J.; Gilbert, R.; Sauvageau, P.; Sandorfy, C. J. Chem. Phys. 1975, 62, 366.
-
(1975)
J. Chem. Phys.
, vol.62
, pp. 366
-
-
Doucet, J.1
Gilbert, R.2
Sauvageau, P.3
Sandorfy, C.4
-
10
-
-
0028423723
-
-
Yokoyama, A.; Yokoyama, K.; Fujisawa, G. J. Chem. Phys. 1994, 100, 6487.
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 6487
-
-
Yokoyama, A.1
Yokoyama, K.2
Fujisawa, G.3
-
11
-
-
0010922186
-
-
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.; AlLaham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; 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.; HeadGordon, 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
Allaham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Peng, C.Y.16
Ayala, P.Y.17
Chen, W.18
Wong, M.W.19
Andres, J.L.20
Replogle, E.S.21
Gomperts, R.22
Martin, R.L.23
Fox, D.J.24
Binkley, J.S.25
Defrees, D.J.26
Baker, J.27
Stewart, J.P.28
Headgordon, M.29
Gonzalez, C.30
Pople, J.A.31
more..
-
12
-
-
0003568278
-
-
Schaefer, H. F., III, Ed.; Plenum: New York, Chapter 1
-
Dunning, T. H., Jr.; Hay, P. J. Modern Theoretical Chemistry; Schaefer, H. F., III, Ed.; Plenum: New York, 1977; Vol. 3, Chapter 1.
-
(1977)
Modern Theoretical Chemistry
, vol.3
-
-
Dunning Jr., T.H.1
Hay, P.J.2
-
14
-
-
85033172929
-
-
Ph.D. Dissertation, University of California, Berkeley
-
Zhao, X. Ph.D. Dissertation, University of California, Berkeley, 1988.
-
(1988)
-
-
Zhao, X.1
-
15
-
-
85033170500
-
-
note
-
Since the activation energy of F, Cl, or Br + ethylene reaction is less than 1 kcal/mol as described in ref 16, the C-F, C-Br, and C-Cl bond dissociation energies are almost the same as the respective enthalpy changes.
-
-
-
-
16
-
-
36549095462
-
-
and references therein
-
Nathanson, G. M.; Minton, T. K.; Shane, S. F.; Lee, Y. T. J. Chem. Phys. 1989, 90, 6157 and references therein.
-
(1989)
J. Chem. Phys.
, vol.90
, pp. 6157
-
-
Nathanson, G.M.1
Minton, T.K.2
Shane, S.F.3
Lee, Y.T.4
-
17
-
-
0000595976
-
-
Krajovich, D.; Huisken, F.; Zhang, Z.; Shen, Y. R.; Lee, Y. T. J. Chem. Phys. 1982, 77, 5977.
-
(1982)
J. Chem. Phys.
, vol.77
, pp. 5977
-
-
Krajovich, D.1
Huisken, F.2
Zhang, Z.3
Shen, Y.R.4
Lee, Y.T.5
-
18
-
-
0003985620
-
-
University of Lund, Sweden
-
Andersson, K.; Blomberg, M. R. A.; Fülscher, M. P.; Kellö, Y.; Lindh, R.; Malmqvist, P.-Å.; Noga, J.; Olsen, J.; Roos, B. O.; Sadlej, A. J.; Siegbahn, P. E. M.; Urvan, M.; Widmark, P.-O. MOLCAS Version 2, University of Lund, Sweden, 1991.
-
(1991)
MOLCAS Version 2
-
-
Andersson, K.1
Blomberg, M.R.A.2
Fülscher, M.P.3
Kellö, Y.4
Lindh, R.5
Malmqvist, P.-Å.6
Noga, J.7
Olsen, J.8
Roos, B.O.9
Sadlej, A.J.10
Siegbahn, P.E.M.11
Urvan, M.12
Widmark, P.-O.13
-
20
-
-
85033167456
-
-
note
-
3 is smaller.
-
-
-
-
21
-
-
0000968205
-
-
Krajnovich, D.; Butler, L. J.; Lee, Y. T. J. Chem. Phys. 1984, 81, 3031.
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 3031
-
-
Krajnovich, D.1
Butler, L.J.2
Lee, Y.T.3
-
22
-
-
0000067966
-
-
Wannenmacher, E. A. J.; Felder, P.; Huber, J. R. J. Chem. Phys. 1991, 95, 986.
-
(1991)
J. Chem. Phys.
, vol.95
, pp. 986
-
-
Wannenmacher, E.A.J.1
Felder, P.2
Huber, J.R.3
-
23
-
-
36449006179
-
-
Baum, G.; Felder, P.; Huber, J. R. J. Chem. Phys. 1993, 98, 1999.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 1999
-
-
Baum, G.1
Felder, P.2
Huber, J.R.3
|