-
1
-
-
0026971377
-
-
(a) Dubois, L. H.; Zegarski, B. R.; Girolami, G. S. J. Electrochem. Soc. 1992, 139, 3603.
-
(1992)
J. Electrochem. Soc.
, vol.139
, pp. 3603
-
-
Dubois, L.H.1
Zegarski, B.R.2
Girolami, G.S.3
-
2
-
-
33748606238
-
-
(b) Saeki, Y.; Matsuzaki, R.; Yajima, A.; Akiyama, M.; Yokohama, N.; Hinode, K.; Homma, Y. J. Electrochem. Soc. 1989, 136, 882.
-
(1989)
J. Electrochem. Soc.
, vol.136
, pp. 882
-
-
Saeki, Y.1
Matsuzaki, R.2
Yajima, A.3
Akiyama, M.4
Yokohama, N.5
Hinode, K.6
Homma, Y.7
-
3
-
-
0040641772
-
-
(c) Fix, R. M.; Gordon, R. G.; Hoffman, D. M. J. Am. Chem. Soc. 1990, 112, 7833.
-
(1990)
J. Am. Chem. Soc.
, vol.112
, pp. 7833
-
-
Fix, R.M.1
Gordon, R.G.2
Hoffman, D.M.3
-
4
-
-
84971996913
-
-
(d) Winter, C. H.; Sheridan, P. H.; Lewkebandara, T. S.; Heeg, M. J.; Proscia, J. W. J. Am. Chem. Soc. 1992, 114, 1095.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 1095
-
-
Winter, C.H.1
Sheridan, P.H.2
Lewkebandara, T.S.3
Heeg, M.J.4
Proscia, J.W.5
-
7
-
-
33845278048
-
-
(a) Bis(amido) Zr-imido. Cummins, C. C.; Baxter, S. M.; Wolczanski, P. T. J. Am. Chem. Soc. 1988, 110, 8731.
-
(1988)
J. Am. Chem. Soc.
, vol.110
, pp. 8731
-
-
Cummins, C.C.1
Baxter, S.M.2
Wolczanski, P.T.3
-
8
-
-
85033061753
-
-
(Cornell). Personal communication
-
Wolczanski, P. T. (Cornell). Personal communication.
-
-
-
Wolczanski, P.T.1
-
9
-
-
0000422327
-
-
(b) Bis(amido)Ti-imido. Cummins, C. C.; Schaller, C. P.; Van Duyne, G. D.; Wolczanski, P. T.; Chan, A. W. E.; Hoffmann, R. J. Am. Chem. Soc. 1991, 113, 2985.
-
(1991)
J. Am. Chem. Soc.
, vol.113
, pp. 2985
-
-
Cummins, C.C.1
Schaller, C.P.2
Van Duyne, G.D.3
Wolczanski, P.T.4
Chan, A.W.E.5
Hoffmann, R.6
-
12
-
-
33748353251
-
-
2V(=NSi′) is described in the following, de With, J.; Horton, A. D. Angew. Chem., Int. Ed. Engl. 1993, 32, 903.
-
(1993)
Angew. Chem., Int. Ed. Engl.
, vol.32
, pp. 903
-
-
De With, J.1
Horton, A.D.2
-
19
-
-
0024784225
-
-
(d) Ziegler, T. L.; Tschinke, V.; Fan, L.; Becke, A. D. J. Am. Chem. Soc. 1989, 111, 9177.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 9177
-
-
Ziegler, T.L.1
Tschinke, V.2
Fan, L.3
Becke, A.D.4
-
20
-
-
0000277903
-
-
(e) Silvestre, J.; Calhorda, M. J.; Hoffmann, R.; Stoutland, P. O.; Bergman, R. G. Organometallics 1986, 5, 1841.
-
(1986)
Organometallics
, vol.5
, pp. 1841
-
-
Silvestre, J.1
Calhorda, M.J.2
Hoffmann, R.3
Stoutland, P.O.4
Bergman, R.G.5
-
22
-
-
0000364106
-
-
(b) Hoffmann, R.; Saillard, J.-Y.; Rabaâ, H. J. Am. Chem. Soc. 1986, 108, 4327.
-
(1986)
J. Am. Chem. Soc.
, vol.108
, pp. 4327
-
-
Hoffmann, R.1
Saillard, J.-Y.2
Rabaâ, H.3
-
24
-
-
0027342081
-
-
(a) Periana, R. A.; Taube, D. J.; Evitt, E. R.; Löffler, D. G.; Wentrcek, P. R.; Voss, G.; Masuda, T.; Science 1993, 259, 340.
-
(1993)
Science
, vol.259
, pp. 340
-
-
Periana, R.A.1
Taube, D.J.2
Evitt, E.R.3
Löffler, D.G.4
Wentrcek, P.R.5
Voss, G.6
Masuda, T.7
-
26
-
-
85033042400
-
-
0 transition metal complexes up to 1988 can be found in Rothwell, I. P. in ref 2, p 151
-
0 transition metal complexes up to 1988 can be found in Rothwell, I. P. in ref 2, p 151.
-
-
-
-
28
-
-
85033048715
-
-
(Illinois). Personal communication
-
Brown, T. L. (Illinois). Personal communication.
-
-
-
Brown, T.L.1
-
30
-
-
0001510524
-
-
(a) Krauss, M.; Stevens, W. J.; Basch, H.; Jasien, P. G. Can. J. Chem. 1992, 70, 612.
-
(1992)
Can. J. Chem.
, vol.70
, pp. 612
-
-
Krauss, M.1
Stevens, W.J.2
Basch, H.3
Jasien, P.G.4
-
31
-
-
0005744966
-
-
(b) Stevens, W. J.; Basch, H.; Krauss, M. J. Chem. Phys. 1984, 81, 6026.
-
(1984)
J. Chem. Phys.
, vol.81
, pp. 6026
-
-
Stevens, W.J.1
Basch, H.2
Krauss, M.3
-
32
-
-
36849115659
-
-
(c) -31G basis set. 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
-
33
-
-
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
-
34
-
-
84893169025
-
-
Schmidt, M. W.; Baldridge, K. K.; Boatz, J. A.; Jensen, J. H.; Koseki, S.; Matsunaga, N. M.; Gordon, M. S.; Nguyen, K. A.; Su, S.; Windus, T. L.; Elbert, S. T. 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
Jensen, J.H.4
Koseki, S.5
Matsunaga, N.M.6
Gordon, M.S.7
Nguyen, K.A.8
Su, S.9
Windus, T.L.10
Elbert, S.T.11
-
35
-
-
0002265510
-
-
Ruedenberg, K.; Schmidt, M. W.; Dombek, M. M.; Elbert, S. T. Chem. Phys. 1982, 71, 41, 51, 65.
-
(1982)
Chem. Phys.
, vol.71
, pp. 41
-
-
Ruedenberg, K.1
Schmidt, M.W.2
Dombek, M.M.3
Elbert, S.T.4
-
37
-
-
84986471229
-
-
(a) Carsky, P.; Hess, B. A.; Schaad, L. J. J. Comput. Chum. 1984, 5, 280.
-
(1984)
J. Comput. Chum.
, vol.5
, pp. 280
-
-
Carsky, P.1
Hess, B.A.2
Schaad, L.J.3
-
38
-
-
84986444438
-
-
(b) Pople, J. A.; Binkely, J. S.; Seeger, R. Int. J. Quantum Chem. 1976, S10, 1.
-
(1976)
Int. J. Quantum Chem.
, vol.S10
, pp. 1
-
-
Pople, J.A.1
Binkely, J.S.2
Seeger, R.3
-
39
-
-
84873055189
-
-
Wiley: New York
-
Experimental values for numerous organic species can be found in Pople, J. A.; Hehre, W. J.; Radom, L.; Schleyer, P. v. R. Ab-Initio Molecular Orbital Theory; Wiley: New York, 1986, and references therein.
-
(1986)
Ab-Initio Molecular Orbital Theory
-
-
Pople, J.A.1
Hehre, W.J.2
Radom, L.3
Schleyer, P.V.R.4
-
40
-
-
0001214209
-
-
Cummins, C. C.; van Duyne, G. D.; Schaller, C. P.; Wolczanski, P. T. Organometallics 1991, 10, 164.
-
(1991)
Organometallics
, vol.10
, pp. 164
-
-
Cummins, C.C.1
Van Duyne, G.D.2
Schaller, C.P.3
Wolczanski, P.T.4
-
41
-
-
37049097648
-
-
Fachinetti, G.; Fochi, G.; Floriani, C. J. Chem. Soc., Dalton Trans. 1977, 1946.
-
(1977)
J. Chem. Soc., Dalton Trans.
, pp. 1946
-
-
Fachinetti, G.1
Fochi, G.2
Floriani, C.3
-
43
-
-
0001050367
-
-
Crabtree, R. H.; Holt, E. M.; Lavin, M.; Morehouse, S. M. Inorg. Chem. 1985, 24, 1986.
-
(1985)
Inorg. Chem.
, vol.24
, pp. 1986
-
-
Crabtree, R.H.1
Holt, E.M.2
Lavin, M.3
Morehouse, S.M.4
-
44
-
-
0003323222
-
Molecular Mechanics
-
American Chemical Society: Washington, DC
-
(a) A description of the MM2 force field can be found in Burkert U.; Allinger, N. L. Molecular Mechanics; ACS Monograph 177, American Chemical Society: Washington, DC, 1982.
-
(1982)
ACS Monograph 177
-
-
Burkert, U.1
Allinger, N.L.2
-
45
-
-
85033065598
-
-
Unpublished results
-
3Me. Torsional barriers about metal-ligand bonds were set to zero. Cundari, T. R.; Moody, E. W. Unpublished results.
-
-
-
Cundari, T.R.1
Moody, E.W.2
-
47
-
-
33750267418
-
-
Thompson, M. E.; Baxter, S. M.; Bulls, A. R.; Burger, B.; Nolan, M. C.; Santarsiero, B. D.; Schaefer, W. P.; Bercaw, J. E. J. Am. Chem. Soc. 1987, 109, 203.
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 203
-
-
Thompson, M.E.1
Baxter, S.M.2
Bulls, A.R.3
Burger, B.4
Nolan, M.C.5
Santarsiero, B.D.6
Schaefer, W.P.7
Bercaw, J.E.8
-
48
-
-
0000313458
-
-
(a) Wasserman, E. P.; Moore, C. B.; Bergman, R. G. Science 1992, 255, 315.
-
(1992)
Science
, vol.255
, pp. 315
-
-
Wasserman, E.P.1
Moore, C.B.2
Bergman, R.G.3
-
49
-
-
0001208343
-
-
(b) Schaller, C. P.; Bonnano, J. B.; Wolczanski, P. T. J. Am. Chem. Soc. 1994, 116, 4133.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 4133
-
-
Schaller, C.P.1
Bonnano, J.B.2
Wolczanski, P.T.3
-
51
-
-
0001013904
-
-
DePuy, C. H.; Gronert, S.; Barlow, S. E.; Bierbaum, V. M.; Damrauer, R. J. Am. Chem. Soc. 1989, 111, 1968.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 1968
-
-
DePuy, C.H.1
Gronert, S.2
Barlow, S.E.3
Bierbaum, V.M.4
Damrauer, R.5
-
52
-
-
33748603034
-
-
Weast, R. C., Ed.; CRC Press: Boca Raton, FL
-
CRC Handbook 64th ed.; Weast, R. C., Ed.; CRC Press: Boca Raton, FL, 1983; p E-70.
-
(1983)
CRC Handbook 64th Ed.
-
-
-
55
-
-
85033053014
-
-
note
-
3 symmetry. All C-Si-C-C, Si-C-C-H, and C-C-C-H torsional angles start out at standard values to make the conformation about Si-C and C-C bonds staggered.
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