-
4
-
-
0032496956
-
-
Kowall, Th.; Caravan, P.; Bourgeois, H.; Helm, L.; Rotzinger, F. P.; Merbach, A. E. J. Am. Chem. Soc. 1998, 120, 6569.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 6569
-
-
Kowall, T.1
Caravan, P.2
Bourgeois, H.3
Helm, L.4
Rotzinger, F.P.5
Merbach, A.E.6
-
6
-
-
84962459891
-
-
Submitted for publication
-
Rotzinger, F. P. Submitted for publication.
-
-
-
Rotzinger, F.P.1
-
10
-
-
84962424066
-
-
d.T: nonbonding orbitals, for example the tig levels in Oh symmetry; da: antibonding Orbitals, eglevels in Oh
-
d.T: nonbonding orbitals, for example the tig levels in Oh symmetry; da: antibonding Orbitals, eglevels in Oh.
-
-
-
-
11
-
-
0012247566
-
-
Doine, H.; Ishihara, K.; Krouse, H. R.; Swaddle, T. W. Inorg. Chem. 1987, 26, 3240.
-
(1987)
Inorg. Chem.
, vol.26
, pp. 3240
-
-
Doine, H.1
Ishihara, K.2
Krouse, H.R.3
Swaddle, T.W.4
-
15
-
-
0008131804
-
-
Gonzalez, G.; Moullet, B.; Martinez, M.; Merbach, A. E. Inorg. Chem. 1994, 33, 2330.
-
(1994)
Inorg. Chem.
, vol.33
, pp. 2330
-
-
Gonzalez, G.1
Moullet, B.2
Martinez, M.3
Merbach, A.E.4
-
18
-
-
84913549677
-
-
Szafran, M.; Karelson, M. M.; Katritzky, A. R.; Koput, J.; Zerner, M. C. J. Comput. Chem. 1993, 14, 371.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 371
-
-
Szafran, M.1
Karelson, M.M.2
Katritzky, A.R.3
Koput, J.4
Zerner, M.C.5
-
19
-
-
84946893847
-
-
Miertus, S.; Scrocco, E.; Tomasi, J. Chem. Phys. 1981, 55, 117.
-
(1981)
Chem. Phys.
, vol.55
, pp. 117
-
-
Miertus, S.1
Scrocco, E.2
Tomasi, J.3
-
24
-
-
84962478666
-
-
work in progress
-
Rotzinger, F. P., work in progress.
-
-
-
Rotzinger, F.P.1
-
25
-
-
84962453169
-
-
note
-
2+ and Co(NH3)jCl2+ via interchange mechanisms, similar differences in the M-C1 and M-O bond lengths have been observed.8 Also in this case, the aβ levels are populated with one or two electrons in the respective Cr1 and Co1 species.
-
-
-
-
26
-
-
84962402189
-
-
note
-
III and RhmO bonds are weaker, these changes might be somewhat larger and disparate for Rum and Rhm. The difference of the Rum-O and Rhm-O bond lengths is, however, expected to alter only slightly.
-
-
-
-
28
-
-
84893169025
-
-
Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Elbert, S. T.; Gordon, M. S.; Jensen, J. H.; Koseki, S.; Matsunaga, N.; Nguyen, K. A.; Su, S. J.; Windus, T. L.; Dupuis, M.; Montgomery, J. A. J. Comput. Chem. 1993, 14, 1347.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1347
-
-
Schmidt, M.W.1
Baldridge, K.K.2
Boatz, J.A.3
Elbert, S.T.4
Gordon, M.S.5
Jensen, J.H.6
Koseki, S.7
Matsunaga, N.8
Nguyen, K.A.9
Su, S.J.10
Windus, T.L.11
Dupuis, M.12
Montgomery, J.A.13
-
29
-
-
84962368822
-
-
Stevens, W. J.; Krauss, M.; Basch, H.; Jasien, P. G. Can. J. Chem. 1992, 70, 612.
-
(1992)
Can. J. Chem.
, vol.70
, pp. 612
-
-
Stevens, W.J.1
Krauss, M.2
Basch, H.3
Jasien, P.G.4
-
30
-
-
0347170005
-
-
Hehre, W. J.; Ditchfield, R.; Pople, J. A. J. Chem. Phys. 1972, 56, 2257.
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 2257
-
-
Hehre, W.J.1
Ditchfield, R.2
Pople, J.A.3
-
31
-
-
84962373368
-
-
Ditchfield, R.; Hehre, W. J.; Pople, J. A. J. Chem. Phys. 1971, 54, 724.
-
(1971)
J. Chem. Phys.
, vol.54
, pp. 724
-
-
Ditchfield, R.1
Hehre, W.J.2
Pople, J.A.3
-
32
-
-
26344435738
-
-
Schäfer, A.; Hörn, H.; Ahlrichs, R. J. Chem. Phys. 1992,97,2571.
-
(1992)
J. Chem. Phys.
, vol.97
, pp. 2571
-
-
Schäfer, A.1
Hörn, H.2
Ahlrichs, R.3
|