-
4
-
-
0042089195
-
-
M. Jones and R. Moss, Eds., Wiley, New York
-
R. H. Levin, in Reactive Intermediates, M. Jones and R. Moss, Eds., Wiley, New York, 1985, vol. 3, p. 1.
-
(1985)
Reactive Intermediates
, vol.3
, pp. 1
-
-
Levin, R.H.1
-
5
-
-
33947328248
-
-
R. Hoffmann, A. Imamura and W. J. Hehre, J. Am. Chem. Soc., 1968, 90, 1499.
-
(1968)
J. Am. Chem. Soc.
, vol.90
, pp. 1499
-
-
Hoffmann, R.1
Imamura, A.2
Hehre, W.J.3
-
6
-
-
84981886558
-
-
T. Kauffmann and R. Wirthwein, Angew. Chem., Int. Ed. Engl., 1971, 10, 20.
-
(1971)
Angew. Chem., Int. Ed. Engl.
, vol.10
, pp. 20
-
-
Kauffmann, T.1
Wirthwein, R.2
-
8
-
-
84989549819
-
-
M. A. Bennett and H. P. Schwemlein, Angew. Chem., Int. Ed. Engl., 1989, 28, 1296.
-
(1989)
Angew. Chem., Int. Ed. Engl.
, vol.28
, pp. 1296
-
-
Bennett, M.A.1
Schwemlein, H.P.2
-
9
-
-
0033618123
-
-
G. E. Davico, R. L. Schwartz, T. M. Ramond and W. C. Lineberger, J. Am. Chem. Soc., 1999, 121, 6047.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 6047
-
-
Davico, G.E.1
Schwartz, R.L.2
Ramond, T.M.3
Lineberger, W.C.4
-
10
-
-
85047695237
-
-
J. C. Rienstra-Kiracofe, D. E. Graham and H. F. Schaefer, III, Mol. Phys., 1998, 94, 767.
-
(1998)
Mol. Phys.
, vol.94
, pp. 767
-
-
Rienstra-Kiracofe, J.C.1
Graham, D.E.2
Schaefer H.F. III3
-
13
-
-
0000382497
-
-
J. P. Perdew, K. Burke and Y. Wang, Phys. Rev. B, 1996, 54, 6533.
-
(1996)
Phys. Rev. B
, vol.54
, pp. 6533
-
-
Perdew, J.P.1
Burke, K.2
Wang, Y.3
-
14
-
-
0013004607
-
-
K. Andersson, P.-Å. Malmqvist, B. O. Roos, A. J. Sadlej and K. Wolinski, J. Phys. Chem., 1990, 94, 5483.
-
(1990)
J. Phys. Chem.
, vol.94
, pp. 5483
-
-
Andersson, K.1
Malmqvist, P.-Å.2
Roos, B.O.3
Sadlej, A.J.4
Wolinski, K.5
-
16
-
-
0004007159
-
-
University of Lund, Sweden
-
K. Andersson, M. R. A. Blomberg, M. P. Fülscher, G. Karlström, V. Kellö, R. Lindh, P-Å. Malmqvist, J. Noga, J. Olsen, B. O. Roos, A. J. Sadlej, P. E. M. Siegbahn, M. Urban and P.-O. Widmark, MOLCAS-3, University of Lund, Sweden, 1994.
-
(1994)
MOLCAS-3
-
-
Andersson, K.1
Blomberg, M.R.A.2
Fülscher, M.P.3
Karlström, G.4
Kellö, V.5
Lindh, R.6
Malmqvist, P.-Å.7
Noga, J.8
Olsen, J.9
Roos, B.O.10
Sadlej, A.J.11
Siegbahn, P.E.M.12
Urban, M.13
Widmark, P.-O.14
-
20
-
-
0006244148
-
-
K. Raghavachari, G. W. Trucks, J. A. Pople and M. Head-Gordon, Chem. Phys. Lett., 1989, 157, 479.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 479
-
-
Raghavachari, K.1
Trucks, G.W.2
Pople, J.A.3
Head-Gordon, M.4
-
21
-
-
0001126914
-
-
N. Handy, J. A. Pople, M. Head-Gordon, K. Raghavachari and G. W. Trucks, Chem. Phys. Lett., 1989, 164, 185.
-
(1989)
Chem. Phys. Lett.
, vol.164
, pp. 185
-
-
Handy, N.1
Pople, J.A.2
Head-Gordon, M.3
Raghavachari, K.4
Trucks, G.W.5
-
24
-
-
1542474067
-
-
B. B. Laird, R. B. Ross and T. Ziegler, Eds., American Chemical Society, Washington, DC
-
M. H. Lim, S. E. Worthington, F. J. Dulles and C. J. Cramer, in Density-Functional Methods in Chemistry, B. B. Laird, R. B. Ross and T. Ziegler, Eds., American Chemical Society, Washington, DC, 1996, vol. 629, p. 402.
-
(1996)
Density-functional Methods in Chemistry
, vol.629
, pp. 402
-
-
Lim, M.H.1
Worthington, S.E.2
Dulles, F.J.3
Cramer, C.J.4
-
25
-
-
0004133516
-
-
Gaussian Inc., Pittsburgh, PA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, C. Y. Peng, P. Y. Ayala, W. Chen, M. W. Wong, J. L. Andres, E. S. Replogle, R. Gomperts, R. L. Martin, D. J. Fox, J. S. Binkley, D. J. Defrees, J. Baker, J. P. Stewart, M. Head-Gordon, C. Gonzalez and J. A. Pople, Gaussian 94 RevD.1; Gaussian Inc., Pittsburgh, PA, 1995.
-
(1995)
Gaussian 94 RevD.1
-
-
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..
-
26
-
-
0032479044
-
-
P. G. Wenthold, R. R. Squires and W. C. Lineberger, J. Am. Chem. Soc., 1998, 120, 5279.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 5279
-
-
Wenthold, P.G.1
Squires, R.R.2
Lineberger, W.C.3
-
27
-
-
0031563676
-
-
C. J. Cramer, J. J. Nash and R. R. Squires, Chem. Phys. Lett., 1997, 277, 311.
-
(1997)
Chem. Phys. Lett.
, vol.277
, pp. 311
-
-
Cramer, C.J.1
Nash, J.J.2
Squires, R.R.3
-
28
-
-
0031576958
-
-
E. Kraka, D. Cremer, G. Bucher, H. Wandel and W. Sander, Chem. Phys. Lett., 1997, 268, 313.
-
(1997)
Chem. Phys. Lett.
, vol.268
, pp. 313
-
-
Kraka, E.1
Cremer, D.2
Bucher, G.3
Wandel, H.4
Sander, W.5
-
32
-
-
0033620461
-
-
H. F. Bettinger, P. v. R. Schleyer and H. F. Schaefer, III, J. Am. Chem. Soc., 1999, 121, 2829.
-
(1999)
J. Am. Chem. Soc.
, vol.121
, pp. 2829
-
-
Bettinger, H.F.1
Schleyer, P.V.R.2
Schaefer H.F. III3
-
36
-
-
0001575570
-
-
T. Heinis, S. Chowdhury, S. L. Scott and P. Kebarle, J. Am. Chem. Soc., 1988, 110, 400.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 400
-
-
Heinis, T.1
Chowdhury, S.2
Scott, S.L.3
Kebarle, P.4
-
38
-
-
0001758570
-
-
S. G. Wierschke, J. J. Nash and R. R. Squires, J. Am. Chem. Soc., 1993, 115, 11958.
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 11958
-
-
Wierschke, S.G.1
Nash, J.J.2
Squires, R.R.3
-
39
-
-
0028494263
-
-
P. G. Wenthold, S. G. Wierschke, J. J. Nash and R. R. Squires, J. Am. Chem. Soc., 1994, 116, 7378.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 7378
-
-
Wenthold, P.G.1
Wierschke, S.G.2
Nash, J.J.3
Squires, R.R.4
-
41
-
-
0000659222
-
-
E. Ruiz, D. Salahub and A. Vela, J. Am. Chem. Soc., 1995, 117, 1141.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 1141
-
-
Ruiz, E.1
Salahub, D.2
Vela, A.3
-
46
-
-
0032545009
-
-
M. B. Sullivan, K. R. Brown, C. J. Cramer and D. G. Truhlar, J. Am. Chem. Soc., 1998, 120, 11778.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 11778
-
-
Sullivan, M.B.1
Brown, K.R.2
Cramer, C.J.3
Truhlar, D.G.4
|