-
1
-
-
84963178208
-
-
P. Metzner, Phosphorus Sulfur Silicon, 1991, 59, 1; P. Metzner, Synthesis, 1992, 1185.
-
(1991)
Phosphorus Sulfur Silicon
, vol.59
, pp. 1
-
-
Metzner, P.1
-
2
-
-
0026676013
-
-
P. Metzner, Phosphorus Sulfur Silicon, 1991, 59, 1; P. Metzner, Synthesis, 1992, 1185.
-
(1992)
Synthesis
, pp. 1185
-
-
Metzner, P.1
-
3
-
-
0042213405
-
-
P. Metzner, T. N. Pham and J. Vialle, Nouv. J. Chim., 1978, 2, 179.
-
(1978)
Nouv. J. Chim.
, vol.2
, pp. 179
-
-
Metzner, P.1
Pham, T.N.2
Vialle, J.3
-
4
-
-
0346004644
-
-
M. Schoufs, J. Meijeir, P. Vermeer and L. Brandsma, Synthesis, 1978, 439.
-
(1978)
Synthesis
, pp. 439
-
-
Schoufs, M.1
Meijeir, J.2
Vermeer, P.3
Brandsma, L.4
-
5
-
-
84977296203
-
-
P. J. W. Schuijl and L. Brandsma, Recl. Trav. Chim. Pays-Bas, 1968, 87, 929; S. Takano, S. Tomita, M. Takakashi and K. Ogasawara, Chem. Lett., 1987, 1379.
-
(1968)
Recl. Trav. Chim. Pays-Bas
, vol.87
, pp. 929
-
-
Schuijl, P.J.W.1
Brandsma, L.2
-
6
-
-
84977296203
-
-
P. J. W. Schuijl and L. Brandsma, Recl. Trav. Chim. Pays-Bas, 1968, 87, 929; S. Takano, S. Tomita, M. Takakashi and K. Ogasawara, Chem. Lett., 1987, 1379.
-
(1987)
Chem. Lett.
, pp. 1379
-
-
Takano, S.1
Tomita, S.2
Takakashi, M.3
Ogasawara, K.4
-
7
-
-
84962339731
-
-
R. Arnaud, V. Dillet, N. Leon-Pelloux and Y. Vallée, J. Chem. Soc., Perkin Trans. 2, 1996, 2065.
-
(1996)
J. Chem. Soc., Perkin Trans. 2
, pp. 2065
-
-
Arnaud, R.1
Dillet, V.2
Leon-Pelloux, N.3
Vallée, Y.4
-
8
-
-
0001360185
-
-
D. A. Hrovat, K. Morokuma and W. T. Borden, J. Am. Chem. Soc., 1994, 116, 1072.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 1072
-
-
Hrovat, D.A.1
Morokuma, K.2
Borden, W.T.3
-
10
-
-
0004133516
-
-
Gaussian Inc., Pittsburgh, PA
-
GAUSSIAN94 (Revision A.1), M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrewski, J. V. Ortiz, J. B. Foresmen. B. Cioslowski, 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 Inc., Pittsburgh, PA, 1995.
-
(1995)
GAUSSIAN94 (Revision A.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.A.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrewski, V.G.13
Ortiz, J.V.14
Foresmen, J.B.15
Cioslowski, B.16
Stefanov, 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..
-
11
-
-
84873055189
-
-
Wiley, New York
-
W. J. Here, L. Radom, P. v. R. Schleyer and J. A. Pople, Ab initio Molecular Orbital Theory, Wiley, New York, 1986.
-
(1986)
Ab Initio Molecular Orbital Theory
-
-
Here, W.J.1
Radom, L.2
Schleyer, P.V.R.3
Pople, J.A.4
-
12
-
-
0000189651
-
-
and references therein
-
A. D. Becke, J. Chem. Phys., 1993, 98, 5648 and references therein; P. J. Stevens, F. J. Deerlin, C. F. Clabowski and M. J. Frish, J. Phys. Chem., 1994, 98, 11 623.
-
(1993)
J. Chem. Phys.
, vol.98
, pp. 5648
-
-
Becke, A.D.1
-
13
-
-
0038411829
-
-
A. D. Becke, J. Chem. Phys., 1993, 98, 5648 and references therein; P. J. Stevens, F. J. Deerlin, C. F. Clabowski and M. J. Frish, J. Phys. Chem., 1994, 98, 11 623.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 11623
-
-
Stevens, P.J.1
Deerlin, F.J.2
Clabowski, C.F.3
Frish, M.J.4
-
14
-
-
0001461906
-
-
O. Wiest, K. A. Black and K. N. Houk, J. Am. Chem. Soc., 1994, 116, 103 368.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 103368
-
-
Wiest, O.1
Black, K.A.2
Houk, K.N.3
-
19
-
-
85005470381
-
-
J. A. Pople, A. P. Scott, M. W. Wong and L. Radom, Isr. J. Chem., 1993, 33, 345.
-
(1993)
Isr. J. Chem.
, vol.33
, pp. 345
-
-
Pople, J.A.1
Scott, A.P.2
Wong, M.W.3
Radom, L.4
-
20
-
-
0011083499
-
-
For a review, see A. E. Reed, L. A. Curtiss and F. Weinhold, Chem Rev., 1988, 88, 899.
-
(1988)
Chem Rev.
, vol.88
, pp. 899
-
-
Reed, A.E.1
Curtiss, L.A.2
Weinhold, F.3
-
21
-
-
0347895934
-
-
For a description of this program, see E. D. Glendening, A. E. Reed, J. E. Carpenter and F. Weinhold, NBO3.0 Program Manual, QCPE Program No. 504.
-
NBO3.0 Program Manual, QCPE Program No. 504
, vol.504
-
-
Glendening, E.D.1
Reed, A.E.2
Carpenter, J.E.3
Weinhold, F.4
-
22
-
-
84961978534
-
-
V. Dillet, D. Rinaldi, J. P. Angyan and J. L. Rivail, Chem. Phys. Lett., 1993, 202, 18; V. Dillet, D. Rinaldi and J. L. Rivail, J. Phys. Chem., 1994, 98, 5034.
-
(1993)
Chem. Phys. Lett.
, vol.202
, pp. 18
-
-
Dillet, V.1
Rinaldi, D.2
Angyan, J.P.3
Rivail, J.L.4
-
23
-
-
0000506936
-
-
V. Dillet, D. Rinaldi, J. P. Angyan and J. L. Rivail, Chem. Phys. Lett., 1993, 202, 18; V. Dillet, D. Rinaldi and J. L. Rivail, J. Phys. Chem., 1994, 98, 5034.
-
(1994)
J. Phys. Chem.
, vol.98
, pp. 5034
-
-
Dillet, V.1
Rinaldi, D.2
Rivail, J.L.3
-
24
-
-
0000304822
-
-
V. Dillet, D. Rinaldi, J. Bertran and J. L. Rivail, J. Chem. Phys. 1996, 104, 9437.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 9437
-
-
Dillet, V.1
Rinaldi, D.2
Bertran, J.3
Rivail, J.L.4
-
25
-
-
0001718717
-
-
A. Sehgal, L. Shao and J. Gao, J. Am. Chem. Soc., 1995, 117, 11 337.
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 11337
-
-
Sehgal, A.1
Shao, L.2
Gao, J.3
-
26
-
-
33947440291
-
-
L. Pauling, J. Am. Chem. Soc., 1947, 69, 542. As suggested by Houk et al. (ref. 23), the constant 0.6 rather than 0.3 is used in the Pauling equation.
-
(1947)
J. Am. Chem. Soc.
, vol.69
, pp. 542
-
-
Pauling, L.1
-
27
-
-
0000729216
-
-
K. N. Houk, S. M. Gustavson and K. A. Black, J. Am. Chem. Soc., 1992, 114, 8565.
-
(1992)
J. Am. Chem. Soc.
, vol.114
, pp. 8565
-
-
Houk, K.N.1
Gustavson, S.M.2
Black, K.A.3
-
28
-
-
37049090292
-
-
R. Arnaud, P. Y. Chavant, K. Molvinger and Y. Vallée, J. Chem. Soc., Chem. Commun., 1995, 1897; V. Barone, R. Arnaud, P. Y. Chavant and Y. Vallée, J. Org. Chem., 1996, 61, 5121.
-
(1995)
J. Chem. Soc., Chem. Commun.
, pp. 1897
-
-
Arnaud, R.1
Chavant, P.Y.2
Molvinger, K.3
Vallée, Y.4
-
29
-
-
0000296710
-
-
R. Arnaud, P. Y. Chavant, K. Molvinger and Y. Vallée, J. Chem. Soc., Chem. Commun., 1995, 1897; V. Barone, R. Arnaud, P. Y. Chavant and Y. Vallée, J. Org. Chem., 1996, 61, 5121.
-
(1996)
J. Org. Chem.
, vol.61
, pp. 5121
-
-
Barone, V.1
Arnaud, R.2
Chavant, P.Y.3
Vallée, Y.4
-
31
-
-
34250727254
-
-
For a detailed discussion of the relative efficiency of a number of charge calculation methods, see K. B. Wiberg and P. R. Rablen, J. Comput. Chem., 1993, 14, 1504; M. A. McAllister and T. T. Tidwell, J. Org. Chem., 1994, 59, 4506.
-
(1993)
J. Comput. Chem.
, vol.14
, pp. 1504
-
-
Wiberg, K.B.1
Rablen, P.R.2
-
32
-
-
0000418871
-
-
For a detailed discussion of the relative efficiency of a number of charge calculation methods, see K. B. Wiberg and P. R. Rablen, J. Comput. Chem., 1993, 14, 1504; M. A. McAllister and T. T. Tidwell, J. Org. Chem., 1994, 59, 4506.
-
(1994)
J. Org. Chem.
, vol.59
, pp. 4506
-
-
McAllister, M.A.1
Tidwell, T.T.2
-
33
-
-
84962430577
-
-
(a) J. M. Guest, J. S. Craw, M. A. Vincent and I. H. Hillier, J. Chem. Soc., Perkin Trans. 2, 1997, 71;
-
(1997)
J. Chem. Soc., Perkin Trans. 2
, pp. 71
-
-
Guest, J.M.1
Craw, J.S.2
Vincent, M.A.3
Hillier, I.H.4
-
34
-
-
0011947051
-
-
(b) M. M. Davidson, I. H. Hillier and M. A. Vincent, Chem. Phys. Lett., 1995, 246, 536.
-
(1995)
Chem. Phys. Lett.
, vol.246
, pp. 536
-
-
Davidson, M.M.1
Hillier, I.H.2
Vincent, M.A.3
-
35
-
-
0000753381
-
-
M. M. Davidson, I. H. Hillier, R. J. Hall and N. A. Burton, J. Am. Chem. Soc., 1994, 116, 9294.
-
(1994)
J. Am. Chem. Soc.
, vol.116
, pp. 9294
-
-
Davidson, M.M.1
Hillier, I.H.2
Hall, R.J.3
Burton, N.A.4
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