-
4
-
-
11944271464
-
-
K. M. Ervin, S. Gronert, S. E. Barlow, M. K. Gilles, A. G. Harrison, V. M. Bierbaum, C. H. DePuy, W. C. Lineberger, and G. B. Ellison, J. Am. Chem. Soc. 112, 5750 (1990).
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 5750
-
-
Ervin, K.M.1
Gronert, S.2
Barlow, S.E.3
Gilles, M.K.4
Harrison, A.G.5
Bierbaum, V.M.6
DePuy, C.H.7
Lineberger, W.C.8
Ellison, G.B.9
-
6
-
-
84987097935
-
-
J. A. Pople, R. Krishnan, H. B. Schlegel, and J. S. Binkley, Int. J. Quantum Chem. 14, 545 (1978)
-
(1978)
Int. J. Quantum Chem.
, vol.14
, pp. 545
-
-
Pople, J.A.1
Krishnan, R.2
Schlegel, H.B.3
Binkley, J.S.4
-
7
-
-
0001092644
-
-
R. Krishnan, M. J. Frisch, J. A. Pople, and P. von R. Schleyer, Chem. Phys. Lett. 79, 408 (1981)
-
(1981)
Chem. Phys. Lett.
, vol.79
, pp. 408
-
-
Krishnan, R.1
Frisch, M.J.2
Pople, J.A.3
Schleyer, P.V.R.4
-
8
-
-
2042525558
-
-
T. Carrington, Jr., L. M. Hubbard, H. F. Schaefer III, and W. H. Miller, J. Chem. Phys. 80, 4347 (1984)
-
(1984)
J. Chem. Phys.
, vol.80
, pp. 4347
-
-
Carrington T., Jr.1
Hubbard, L.M.2
Schaefer H.F. III3
Miller, W.H.4
-
12
-
-
0035977636
-
-
R. L. Hayes, E. Fattal, N. Govind, and E. A. Carter, J. Am. Chem. Soc. 123, 641 (2001).
-
(2001)
J. Am. Chem. Soc.
, vol.123
, pp. 641
-
-
Hayes, R.L.1
Fattal, E.2
Govind, N.3
Carter, E.A.4
-
13
-
-
0000517236
-
-
G. A. Petersson, T. G. Tensfeldt, and J. A. Montgomery, Jr., J. Am. Chem. Soc. 114, 6133 (1992).
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 6133
-
-
Petersson, G.A.1
Tensfeldt, T.G.2
Montgomery J.A., Jr.3
-
17
-
-
0000472043
-
-
M. J. Frisch, R. Krishnan, J. A. Pople, and P. von R. Schleyer, Chem. Phys. Lett. 79, 421 (1981).
-
(1981)
Chem. Phys. Lett.
, vol.79
, pp. 421
-
-
Frisch, M.J.1
Krishnan, R.2
Pople, J.A.3
Schleyer, P.V.R.4
-
18
-
-
0030869490
-
-
J. Breidung, H. Bürger, C. Kötting, R. Kopitzky, W. Sander, M. Senzlober, W. Thiel, and H. Willner, Angew. Chem. Int. Ed. Engl. 36, 1983 (1997).
-
(1997)
Angew. Chem. Int. Ed. Engl.
, vol.36
, pp. 1983
-
-
Breidung, J.1
Bürger, H.2
Kötting, C.3
Kopitzky, R.4
Sander, W.5
Senzlober, M.6
Thiel, W.7
Willner, H.8
-
20
-
-
0001309434
-
-
B. J. DeLeeuw, J. T. Fermann, Y. Xie, and H. F. Schaefer III, J. Am. Chem. Soc. 115, 1039 (1993).
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 1039
-
-
DeLeeuw, B.J.1
Fermann, J.T.2
Xie, Y.3
Schaefer H.F. III4
-
22
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh PA
-
M. J. Frisch, G. W. Trucks, H. B. Schlegel et al., Gaussian 98, Revision A.9, Gaussian, Inc., Pittsburgh PA, 1998.
-
(1998)
Gaussian 98, Revision A.9
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
-
29
-
-
4143095330
-
-
R. A. Kendall, T. H. Dunning, Jr., and R. J. Harrison, ibid. 96, 6796 (1992)
-
(1992)
J. Chem. Phys.
, vol.96
, pp. 6796
-
-
Kendall, R.A.1
Dunning T.H., Jr.2
Harrison, R.J.3
-
31
-
-
0010408411
-
-
K. A. Peterson, D. E. Woon, and T. H. Dunning, Jr., ibid. 100, 7410 (1994)
-
(1994)
J. Chem. Phys.
, vol.100
, pp. 7410
-
-
Peterson, K.A.1
Woon, D.E.2
Dunning T.H., Jr.3
-
39
-
-
0012279208
-
-
note
-
3). Therefore, the positions of nuclei correspond to (3, -3) critical points, and the presence of a bond is indicated by a (3, -1) bond critical point. The construct a molecular graph, critical points are linked by bond paths; bond paths correspond to lines along which the electron density is a maximum with respect to any neighboring line.
-
-
-
|