-
1
-
-
0000843682
-
-
D. L. Cooper, T. P. Cunningham, J. Gerratt, P. B. Karadakov, and M. Raimondi, J. Am. Chem. Soc. 116, 4414 (1994).
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 4414
-
-
Cooper, D.L.1
Cunningham, T.P.2
Gerratt, J.3
Karadakov, P.B.4
Raimondi, M.5
-
3
-
-
0003370015
-
-
D. L. Cooper, J. Gerratt, and M. Raimondi, Adv. Chem. Phys. 69, 319 (1987); Chem. Rev. 91, 929 (1991).
-
(1987)
Adv. Chem. Phys.
, vol.69
, pp. 319
-
-
Cooper, D.L.1
Gerratt, J.2
Raimondi, M.3
-
4
-
-
4243122786
-
-
D. L. Cooper, J. Gerratt, and M. Raimondi, Adv. Chem. Phys. 69, 319 (1987); Chem. Rev. 91, 929 (1991).
-
(1991)
Chem. Rev.
, vol.91
, pp. 929
-
-
-
7
-
-
0041896945
-
-
E. Magnusson, J. Am. Chem. Soc. 112, 7940 (1990); Ibid., 115, 1051 (1993).
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 1051
-
-
-
12
-
-
4243101997
-
-
R. D. Harcourt, J. Mol. Struct. 259, 155 (1992); Ibid., 300, 243 (1993).
-
(1993)
J. Mol. Struct.
, vol.300
, pp. 243
-
-
-
16
-
-
85033842875
-
-
MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. Amos, S. Elbert, K. Hampel, W. Meyer, K. Peterson, R. Pitzer, and A. J. Stone (see ref. 14)
-
MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. Amos, S. Elbert, K. Hampel, W. Meyer, K. Peterson, R. Pitzer, and A. J. Stone (see ref. 14).
-
-
-
-
18
-
-
85033867773
-
-
The basis sets were in fact taken directly from the MOLPRO library (see ref. 14)
-
The basis sets were in fact taken directly from the MOLPRO library (see ref. 14).
-
-
-
-
20
-
-
0003978536
-
-
Plenum, New York
-
For an account of different spin functions, and of the relationships between them, see: R. Pauncz, Spin Eigenfunctions (Plenum, New York, 1979).
-
(1979)
Spin Eigenfunctions
-
-
Pauncz, R.1
-
23
-
-
85033849572
-
-
These values are expressed in the Serber basis (ref. 17)
-
These values are expressed in the Serber basis (ref. 17).
-
-
-
-
32
-
-
0242434279
-
-
Q. Williams, J. Sheridan, and W. Gordy, J. Chem. Phys. 20, 164 (1952); Y. S. Li, M. M. Chen, and J. R. Durig, J. Mol. Struct. 14, 261 (1972); J. H. Carpenter, R. Crane, and J. G. Smith, J. Mol. Spectrosc. 101, 306 (1983).
-
(1952)
J. Chem. Phys.
, vol.20
, pp. 164
-
-
Williams, Q.1
Sheridan, J.2
Gordy, W.3
-
33
-
-
4243143782
-
-
Q. Williams, J. Sheridan, and W. Gordy, J. Chem. Phys. 20, 164 (1952); Y. S. Li, M. M. Chen, and J. R. Durig, J. Mol. Struct. 14, 261 (1972); J. H. Carpenter, R. Crane, and J. G. Smith, J. Mol. Spectrosc. 101, 306 (1983).
-
(1972)
J. Mol. Struct.
, vol.14
, pp. 261
-
-
Li, Y.S.1
Chen, M.M.2
Durig, J.R.3
-
34
-
-
4243061490
-
-
Q. Williams, J. Sheridan, and W. Gordy, J. Chem. Phys. 20, 164 (1952); Y. S. Li, M. M. Chen, and J. R. Durig, J. Mol. Struct. 14, 261 (1972); J. H. Carpenter, R. Crane, and J. G. Smith, J. Mol. Spectrosc. 101, 306 (1983).
-
(1983)
J. Mol. Spectrosc.
, vol.101
, pp. 306
-
-
Carpenter, J.H.1
Crane, R.2
Smith, J.G.3
-
35
-
-
85033851647
-
-
note
-
3PO, at the same modest level of theory, lead to geometries which are very similar to the experimental ones shown in Scheme 1.
-
-
-
-
38
-
-
37049136971
-
-
R. S. Armstrong, M. J. Aroney, R. J. W. Le Fèvre, R. K. Pierens, J. D. Saxby, and C. J. Wilkins, J. Chem. Soc. A 2735 (1969).
-
(1969)
J. Chem. Soc. A
, pp. 2735
-
-
Armstrong, R.S.1
Aroney, M.J.2
Le Fèvre, R.J.W.3
Pierens, R.K.4
Saxby, J.D.5
Wilkins, C.J.6
-
40
-
-
0242454101
-
-
W. B. Fox, J. S. MacKenzie, E. R. McCarthy, J. R. Holmes, R. F. Stahl, and R. Juurik, Inorg. Chem. 7, 2064 (1968).
-
(1968)
Inorg. Chem.
, vol.7
, pp. 2064
-
-
Fox, W.B.1
MacKenzie, J.S.2
McCarthy, E.R.3
Holmes, J.R.4
Stahl, R.F.5
Juurik, R.6
-
42
-
-
0001713848
-
-
J. V. Bell, J. Heisler, H. Tannenbaum, and J. Goldenson, J. Am. Chem. Soc. 76, 5185 (1954).
-
(1954)
J. Am. Chem. Soc.
, vol.76
, pp. 5185
-
-
Bell, J.V.1
Heisler, J.2
Tannenbaum, H.3
Goldenson, J.4
|