-
1
-
-
0004067957
-
Methods of Electronic Structure Theory
-
See, for example, ref 2 and, H. F. Schaefer III, Ed., Plenum, New York, “Applications of Electronic Structure Theory”, H. F. Schaefer III, Ed., Plenum, New York, 1977
-
See, for example, ref 2 and “Methods of Electronic Structure Theory”, H. F. Schaefer III, Ed., Plenum, New York, 1977;, “Applications of Electronic Structure Theory”, H. F. Schaefer III, Ed., Plenum, New York, 1977.
-
(1977)
-
-
-
3
-
-
11744283687
-
-
W. J. Hehre, R. F. Stewart, and J. A. Pople, J. Chem. Phys., 51, 2657 (1969).
-
(1969)
J. Chem. Phys.
, vol.51
, pp. 2657
-
-
Hehre, W.J.1
Stewart, R.F.2
Pople, J.A.3
-
4
-
-
33847800098
-
-
M. Taagepera, W. J. Hehre, R. D. Topsom, and R. W. Taft, J. Am. Chem. Soc., 98, 7438 (1976).
-
(1976)
J. Am. Chem. Soc.
, vol.98
, pp. 7438
-
-
Taagepera, M.1
Hehre, W.J.2
Topsom, R.D.3
Taft, R.W.4
-
5
-
-
0000991234
-
-
A. Pross, L. Radom, and R. W. Taft, J. Org. Chem., 45, 818 (1980);
-
(1980)
J. Org. Chem.
, vol.45
, pp. 818
-
-
Pross, A.1
Radom, L.2
Taft, R.W.3
-
7
-
-
84986598785
-
-
W. J. Hehre, R. W. Taft, and R. D. Topsom, Prog. Phys. Org. Chem., 12, 159 (1976).
-
(1976)
Prog. Phys. Org. Chem.
, vol.12
, pp. 159
-
-
Hehre, W.J.1
Taft, R.W.2
Topsom, R.D.3
-
8
-
-
2442617487
-
-
J. S. Binkley, J. A. Pople, and W. J. Hehre, J. Am. Chem. Soc., 102, 939 (1980).
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 939
-
-
Binkley, J.S.1
Pople, J.A.2
Hehre, W.J.3
-
9
-
-
0000141448
-
-
R. Ditchfield, W. J. Hehre, and J. A. Pople, J. Chem. Phys., 54, 724 (1971);
-
(1971)
J. Chem. Phys.
, vol.54
, pp. 724
-
-
Ditchfield, R.1
Hehre, W.J.2
Pople, J.A.3
-
12
-
-
15944395860
-
-
See, for example, ref 2, 9, and 14 and
-
See, for example, ref 2, 9, and 14 and P. Pulay, G. Forgarasi, F. Pang, and J. E. Boggs, J. Am. Chem. Soc., 101, 2550 (1979);
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 2550
-
-
Pulay, P.1
Forgarasi, G.2
Pang, F.3
Boggs, J.E.4
-
13
-
-
49349140378
-
-
C. W. Bock, P. George, G. J. Mains, and M. Trachtman, J. Mol. Structure., 49, 215 (1979).
-
(1979)
J. Mol. Structure.
, vol.49
, pp. 215
-
-
Bock, C.W.1
George, P.2
Mains, G.J.3
Trachtman, M.4
-
15
-
-
0000480976
-
-
W. H. Hehre, M. Taagepera, R. W. Taft, and R. D. Topsom, J. Am. Chem. Soc., 103, 1344 (1981).
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 1344
-
-
Hehre, W.H.1
Taagepera, M.2
Taft, R.W.3
Topsom, R.D.4
-
16
-
-
84909863312
-
-
See for example “Gas-phase Ion Chemistry”, M. T. Bowers, Ed., Academic Press, New York, 1979; “Ion Cyclotron Resonance Spectrometry”, H. Hartmann and K.-P. Wanczek, Eds., Springer-Verlag, Berlin, 1978
-
See, for example, R. T. McIver, Jr., Science, 243, 186 (1980); “Gas-phase Ion Chemistry”, M. T. Bowers, Ed., Academic Press, New York, 1979; “Ion Cyclotron Resonance Spectrometry”, H. Hartmann and K.-P. Wanczek, Eds., Springer-Verlag, Berlin, 1978.
-
(1980)
Science
, vol.243
, pp. 186
-
-
McIver, R.T.1
-
19
-
-
0002875014
-
-
and references therein
-
R. D. Topsom, J. Am. Chem. Soc., 103, 39 (1981), and references therein.
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 39
-
-
Topsom, R.D.1
-
23
-
-
0002456311
-
-
R. D. Stolow, P. W. Samal, and T. W. Giants, J. Am. Chem. Soc., 103, 197 (1981).
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 197
-
-
Stolow, R.D.1
Samal, P.W.2
Giants, T.W.3
-
25
-
-
0004219668
-
Inorganic Chemistry
-
See for example, Harper and Row, New York
-
See, for example, J. E. Huheey, “Inorganic Chemistry”, Harper and Row, New York, 1975.
-
-
-
Huheey, J.E.1
-
27
-
-
0002419331
-
-
See for example
-
See, for example: R. Knorr, Tetrahedron, 37, 929 (1981);
-
(1981)
Tetrahedron
, vol.37
, pp. 929
-
-
Knorr, R.1
-
29
-
-
84919002315
-
-
L. Ernst, V. Wray, V. A. Chertkov, and N. M. Sergeyev, J. Magn. Reson., 40, 55 (1980);
-
(1980)
J. Magn. Reson.
, vol.40
, pp. 55
-
-
Ernst, L.1
Wray, V.2
Chertkov, V.A.3
Sergeyev, N.M.4
-
31
-
-
0038245836
-
-
W. F. Reynolds, R. W. Taft, S. Marriott, and R. D. Topsom, Tetrahedron Lett., 1055 (1982).
-
(1982)
Tetrahedron Lett.
, pp. 1055
-
-
Reynolds, W.F.1
Taft, R.W.2
Marriott, S.3
Topsom, R.D.4
-
32
-
-
0010751653
-
-
Theoretical calculations have shown that σ and π interactions occur in the same fashion in monosubstituted methanes as in monosubstituted benzenes
-
Theoretical calculations have shown that σ and π interactions occur in the same fashion in monosubstituted methanes as in monosubstituted benzenes: K. B. Wiberg, J. Am. Chem. Soc., 102, 1229 (1980).
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 1229
-
-
Wiberg, K.B.1
-
35
-
-
0000924439
-
-
F. The geometry was based on the relative positions of the ethylenic linkage and X in para-subsituted styrenes, The use of HX avoids the hyperconjugation interaction that can occur in methyl derivatives
-
F. The geometry was based on the relative positions of the ethylenic linkage and X in para-subsituted styrenes: W. F. Reynolds, P. G. Mezey, and G. K. Hamer, Can. J. Chem., 55, 522 (1977). The use of HX avoids the hyperconjugation interaction that can occur in methyl derivatives.
-
(1977)
Can. J. Chem.
, vol.55
, pp. 522
-
-
Reynolds, W.F.1
Mezey, P.G.2
Hamer, G.K.3
-
36
-
-
33947089034
-
-
W. J. Hehre, L. Random, and J. A. Pople, J. Am. Chem. Soc., 94, 1496 (1972).
-
(1972)
J. Am. Chem. Soc.
, vol.94
, pp. 1496
-
-
Hehre, W.J.1
Random, L.2
Pople, J.A.3
-
38
-
-
84983724354
-
-
and references therein
-
S. Ehrenson, R. T. C. Brownlee, and R. W. Taft, Prog. Phys. Org. Chem., 10, 1 (1973), and references therein.
-
(1973)
Prog. Phys. Org. Chem.
, vol.10
, pp. 1
-
-
Ehrenson, S.1
Brownlee, R.T.C.2
Taft, R.W.3
-
40
-
-
0000037730
-
-
W. F. Reynolds, P. Dais, R. W. Taft, and R. D. Topsom, Tetrahedron Lett., 1795 (1981);
-
(1981)
Tetrahedron Lett.
, pp. 1795
-
-
Reynolds, W.F.1
Dais, P.2
Taft, R.W.3
Topsom, R.D.4
-
41
-
-
0021098253
-
-
W. F. Reynolds, P. Dais, D. G. MacIntyre, R. D. Topsom, S. Marriott, E. Von Nagy-Felsobuki, and R. W. Taft, J. Am. Chem. Soc., 105, 378 (1983).
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 378
-
-
Reynolds, W.F.1
Dais, P.2
MacIntyre, D.G.3
Topsom, R.D.4
Marriott, S.5
Von Nagy-Felsobuki, E.6
Taft, R.W.7
-
42
-
-
33845557432
-
-
This has also been concluded from theoretical calculation (STO-3G) of the energies of monosubstituted benzenes in the presence of positive charges
-
This has also been concluded from theoretical calculation (STO-3G) of the energies of monosubstituted benzenes in the presence of positive charges: E. R. Vorpagel, A. Streitweiser, and S. D. Alexandratos, J. Am. Chem. Soc., 103, 3777 (1981).
-
(1981)
J. Am. Chem. Soc.
, vol.103
, pp. 3777
-
-
Vorpagel, E.R.1
Streitweiser, A.2
Alexandratos, S.D.3
-
44
-
-
0000713182
-
-
D. A. Dixon, P. A. Charlier, and P. G. Gassman, J. Am. Chem. Soc., 102, 1214 (1980), 102, 3957 (1980).
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 1214
-
-
Dixon, D.A.1
Charlier, P.A.2
Gassman, P.G.3
-
45
-
-
20544433571
-
-
See, for example
-
See, for example: A. Fischer, W. J. Galloway, and J. Vaughan, J. Chem. Soc., 3591, 3596 (1964);
-
(1964)
J. Chem. Soc.
, vol.3591
, pp. 3596
-
-
Fischer, A.1
Galloway, W.J.2
Vaughan, J.3
-
46
-
-
11744330098
-
-
C. D. Johnson, I. Roberts, and P. G. Taylor, J. Chem. Soc., Chem. Commun., 897 (1977).
-
(1977)
J. Chem. Soc., Chem. Commun.
, pp. 897
-
-
Johnson, C.D.1
Roberts, I.2
Taylor, P.G.3
-
47
-
-
0000345482
-
-
See, for example: ref 31 and
-
See, for example: ref 31 and R. W. Taft, M. Taagepera, J. L. M. Abboud, J. F. Wolf, D. J. DeFrees, W. J. Hehre, J. E. Bartmess, and R. T. McIver, Jr., J. Am. Chem. Soc., 100, 7765 (1978);
-
(1978)
J. Am. Chem. Soc.
, vol.100
, pp. 7765
-
-
Taft, R.W.1
Taagepera, M.2
Abboud, J.L.M.3
Wolf, J.F.4
DeFrees, D.J.5
Hehre, W.J.6
Bartmess, J.E.7
McIver, R.T.8
-
49
-
-
84986782774
-
-
See, for example, and references therein
-
See, for example: E. A. Hill and H. E. Guenther, Org. Magn. Reson., 16, 177 (1981), and references therein;
-
(1981)
Org. Magn. Reson.
, vol.16
, pp. 177
-
-
Hill, E.A.1
Guenther, H.E.2
-
50
-
-
37049110087
-
-
J. Bromilow, R. T. C. Brownlee, D. J. Craik, P. R. Fiske, J. E. Rowe, and M. Sadek, J. Chem. Soc., Perkin Trans. 2, 753 (1981);
-
(1981)
J. Chem. Soc., Perkin Trans.
, vol.2
, pp. 753
-
-
Bromilow, J.1
Brownlee, R.T.C.2
Craik, D.J.3
Fiske, P.R.4
Rowe, J.E.5
Sadek, M.6
-
51
-
-
37049102604
-
-
S. Marriott and R. D. Topsom, manuscript submitted for publication
-
R. T. C. Brownlee and D. J. Craik, J. Chem. Soc., Perkin Trans., 760 (1981); S. Marriott and R. D. Topsom, manuscript submitted for publication.
-
(1981)
J. Chem. Soc., Perkin Trans.
, pp. 760
-
-
Brownlee, R.T.C.1
Craik, D.J.2
-
52
-
-
2642707647
-
-
See, for example
-
See, for example: D. Defrees, W. J. Hehre, and R. W. Taft, J. Am. Chem. Soc., 102, 424 (1980);
-
(1980)
J. Am. Chem. Soc.
, vol.102
, pp. 424
-
-
Defrees, D.1
Hehre, W.J.2
Taft, R.W.3
-
53
-
-
0040349486
-
-
E. M. Arnett, B. Chawla, L. Bell, M. Taagepera, W. J. Hehre, and R. W. Taft, J. Am. Chem. Soc., 99, 5729 (1977).
-
(1977)
J. Am. Chem. Soc.
, vol.99
, pp. 5729
-
-
Arnett, E.M.1
Chawla, B.2
Bell, L.3
Taagepera, M.4
Hehre, W.J.5
Taft, R.W.6
|