-
1
-
-
0347616514
-
-
For Part I, see Ref. 31
-
For Part I, see Ref. 31.
-
-
-
-
2
-
-
0004090803
-
-
The Israel Acad. Sci. Humanities, Jerusalem
-
For review: a) R. D. Bergmann and B. Pullmann, "Aromaticity, Pseudo-Aromaticity, Anti-Arormiticity," The Israel Acad. Sci. Humanities, Jerusalem (1971); b) P. J. Garrat, "Aromaticity," John Wiley & Sons, New York (1986).
-
(1971)
Aromaticity, Pseudo-Aromaticity, Anti-Arormiticity
-
-
Bergmann, R.D.1
Pullmann, B.2
-
3
-
-
0003958846
-
-
John Wiley & Sons, New York
-
For review: a) R. D. Bergmann and B. Pullmann, "Aromaticity, Pseudo-Aromaticity, Anti-Arormiticity," The Israel Acad. Sci. Humanities, Jerusalem (1971); b) P. J. Garrat, "Aromaticity," John Wiley & Sons, New York (1986).
-
(1986)
Aromaticity
-
-
Garrat, P.J.1
-
6
-
-
0000106277
-
-
By Hückel MO methods: a) R. Breslow and E. Mohasci, J. Am. Chem. Soc., 85, 431 (1963); b) B. A. Hess, Jr., and L. J. Schaad, J. Am. Chem. Soc., 93, 302 (1983).
-
(1963)
J. Am. Chem. Soc.
, vol.85
, pp. 431
-
-
Breslow, R.1
Mohasci, E.2
-
7
-
-
0000106277
-
-
By Hückel MO methods: a) R. Breslow and E. Mohasci, J. Am. Chem. Soc., 85, 431 (1963); b) B. A. Hess, Jr., and L. J. Schaad, J. Am. Chem. Soc., 93, 302 (1983).
-
(1983)
J. Am. Chem. Soc.
, vol.93
, pp. 302
-
-
Hess Jr., B.A.1
Schaad, L.J.2
-
9
-
-
0011058679
-
-
By ab initio Mo methods: a) R. C. Haddon and J. Starnes, Adv. Chem. Set: A, 169, 333 (1978); b) B. A. Hess, Jr., and L. J. Schaad, J. Am. Chem. Soc., 105, 7500 (1983); c) H. Ichikawa and Y. Ebisawa, J. Am. Chem. Soc., 107, 1161 (1985).
-
(1978)
Adv. Chem. Set: A
, vol.169
, pp. 333
-
-
Haddon, R.C.1
Starnes, J.2
-
10
-
-
0020891684
-
-
By ab initio Mo methods: a) R. C. Haddon and J. Starnes, Adv. Chem. Set: A, 169, 333 (1978); b) B. A. Hess, Jr., and L. J. Schaad, J. Am. Chem. Soc., 105, 7500 (1983); c) H. Ichikawa and Y. Ebisawa, J. Am. Chem. Soc., 107, 1161 (1985).
-
(1983)
J. Am. Chem. Soc.
, vol.105
, pp. 7500
-
-
Hess Jr., B.A.1
Schaad, L.J.2
-
11
-
-
33845379256
-
-
By ab initio Mo methods: a) R. C. Haddon and J. Starnes, Adv. Chem. Set: A, 169, 333 (1978); b) B. A. Hess, Jr., and L. J. Schaad, J. Am. Chem. Soc., 105, 7500 (1983); c) H. Ichikawa and Y. Ebisawa, J. Am. Chem. Soc., 107, 1161 (1985).
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 1161
-
-
Ichikawa, H.1
Ebisawa, Y.2
-
16
-
-
0011809412
-
-
c) P. C. Hiberty, S. S. Shaik, J. -M. Lefour, and G. Ohanessian, J. Org. Chem., 50, 4657 (1985);
-
(1985)
J. Org. Chem.
, vol.50
, pp. 4657
-
-
Hiberty, P.C.1
Shaik, S.S.2
Lefour, J.-M.3
Ohanessian, G.4
-
17
-
-
33845283454
-
-
d) S. S. Shaik, P. C. Hiberty, J. -M. Lefour, and O. Ohanessian, J. Am. Chem. Soc., 109, 363 (1987);
-
(1987)
J. Am. Chem. Soc.
, vol.109
, pp. 363
-
-
Shaik, S.S.1
Hiberty, P.C.2
Lefour, J.-M.3
Ohanessian, O.4
-
18
-
-
0000599584
-
-
e) G. Ohanessian, P. C. Hiberty, J. -M. Lefour, J. -P. Flament, and S. S. Shaik, Inorg. Chem., 27, 2219 (1988);
-
(1988)
Inorg. Chem.
, vol.27
, pp. 2219
-
-
Ohanessian, G.1
Hiberty, P.C.2
Lefour, J.-M.3
Flament, J.-P.4
Shaik, S.S.5
-
19
-
-
0000903479
-
-
f) S. S. Shaik, P. C. Hiberty, G. Ohanessian, and J. -M. Lefour, J. Phys. Chem., 92, 5086 (1988);
-
(1988)
J. Phys. Chem.
, vol.92
, pp. 5086
-
-
Shaik, S.S.1
Hiberty, P.C.2
Ohanessian, G.3
Lefour, J.-M.4
-
20
-
-
0000502724
-
-
g) P. C. Hiberty, D. Danovich, A. Shurki, and S. Shaik, J. Am. Chem. Soc., 117, 7760 (1995).
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 7760
-
-
Hiberty, P.C.1
Danovich, D.2
Shurki, A.3
Shaik, S.4
-
27
-
-
0001302196
-
-
E. D. Glendenig, R. Faust, A. Streitwieser, K. P. C. Vollhardt, and F. Weinhold, J. Am. Chem. Soc., 115, 10952 (1993).
-
(1993)
J. Am. Chem. Soc.
, vol.115
, pp. 10952
-
-
Glendenig, E.D.1
Faust, R.2
Streitwieser, A.3
Vollhardt, K.P.C.4
Weinhold, F.5
-
30
-
-
84956767824
-
-
D. R. Hartree, Proc. Cambridge Philos. Soc., 24, 89 (1928); V. Fock, Z. Phys., 61, 126 (1930); C. C. J. Roothaan, Rev. Mod. Phys., 23, 69 (1951).
-
(1928)
Proc. Cambridge Philos. Soc.
, vol.24
, pp. 89
-
-
Hartree, D.R.1
-
31
-
-
34250926854
-
-
D. R. Hartree, Proc. Cambridge Philos. Soc., 24, 89 (1928); V. Fock, Z. Phys., 61, 126 (1930); C. C. J. Roothaan, Rev. Mod. Phys., 23, 69 (1951).
-
(1930)
Z. Phys.
, vol.61
, pp. 126
-
-
Fock, V.1
-
32
-
-
2342430094
-
-
D. R. Hartree, Proc. Cambridge Philos. Soc., 24, 89 (1928); V. Fock, Z. Phys., 61, 126 (1930); C. C. J. Roothaan, Rev. Mod. Phys., 23, 69 (1951).
-
(1951)
Rev. Mod. Phys.
, vol.23
, pp. 69
-
-
Roothaan, C.C.J.1
-
34
-
-
33845379256
-
-
Interesting and comprehensive relationship between the π energy by the Hücket MO theory and the kinetic energy of π electrons has been reported. Besides, the kinetic energy of π electrons was shown not to be very susceptible to nuclear displacement (H. Ichikawa and Y. Ebisawa, J. Am. Chem. Soc., 107, 1161 (1985); H. Ichikawa and K. Sameshima, Bull. Chem. Soc. Jpn., 63, 3248 (1990).
-
(1985)
J. Am. Chem. Soc.
, vol.107
, pp. 1161
-
-
Ichikawa, H.1
Ebisawa, Y.2
-
35
-
-
0001397938
-
-
Interesting and comprehensive relationship between the π energy by the Hücket MO theory and the kinetic energy of π electrons has been reported. Besides, the kinetic energy of π electrons was shown not to be very susceptible to nuclear displacement (H. Ichikawa and Y. Ebisawa, J. Am. Chem. Soc., 107, 1161 (1985); H. Ichikawa and K. Sameshima, Bull. Chem. Soc. Jpn., 63, 3248 (1990).
-
(1990)
Bull. Chem. Soc. Jpn.
, vol.63
, pp. 3248
-
-
Ichikawa, H.1
Sameshima, K.2
-
39
-
-
0004292745
-
-
Macmillan, New York
-
For detailed discussion of the historical aspects of benzene, sec: J. R. Partington, "A History of Chemistry," Macmillan, New York (1964), Vol. 4; C. K. Ingold, "Structure and Mechanism in Organic Chemistry," 2nd ed, Cornell University Press, Ithaca, N. Y. (1969); P. J. Garrat, "Aromaticity," John Wiley & Sons, New York (1986), Chap. 1.
-
(1964)
A History of Chemistry
, vol.4
-
-
Partington, J.R.1
-
40
-
-
0004169339
-
-
Cornell University Press, Ithaca, N. Y.
-
For detailed discussion of the historical aspects of benzene, sec: J. R. Partington, "A History of Chemistry," Macmillan, New York (1964), Vol. 4; C. K. Ingold, "Structure and Mechanism in Organic Chemistry," 2nd ed, Cornell University Press, Ithaca, N. Y. (1969); P. J. Garrat, "Aromaticity," John Wiley & Sons, New York (1986), Chap. 1.
-
(1969)
"Structure and Mechanism in Organic Chemistry," 2nd Ed
-
-
Ingold, C.K.1
-
41
-
-
0003958846
-
-
John Wiley & Sons, New York Chap. 1
-
For detailed discussion of the historical aspects of benzene, sec: J. R. Partington, "A History of Chemistry," Macmillan, New York (1964), Vol. 4; C. K. Ingold, "Structure and Mechanism in Organic Chemistry," 2nd ed, Cornell University Press, Ithaca, N. Y. (1969); P. J. Garrat, "Aromaticity," John Wiley & Sons, New York (1986), Chap. 1.
-
(1986)
Aromaticity
-
-
Garrat, P.J.1
-
42
-
-
0003955395
-
-
Oxford University Press, New York
-
C. A. Coulson, "Valence," 2nd ed, Oxford University Press, New York (1962); J. N. Murrell, S. F. A. Kettle, and J. M. Tedder, "The Chemical Bond," Wiley, New York (1978); L. Salem, "The Molecular orbital Theory of Conjugated Systems," W. A. Benjamin, New York (1966); K. Yates, "Hückel Molecular Orbital Theory," Academic Press, New York (1978).
-
(1962)
"Valence," 2nd Ed
-
-
Coulson, C.A.1
-
43
-
-
0003446255
-
-
Wiley, New York
-
C. A. Coulson, "Valence," 2nd ed, Oxford University Press, New York (1962); J. N. Murrell, S. F. A. Kettle, and J. M. Tedder, "The Chemical Bond," Wiley, New York (1978); L. Salem, "The Molecular orbital Theory of Conjugated Systems," W. A. Benjamin, New York (1966); K. Yates, "Hückel Molecular Orbital Theory," Academic Press, New York (1978).
-
(1978)
The Chemical Bond
-
-
Murrell, J.N.1
Kettle, S.F.A.2
Tedder, J.M.3
-
44
-
-
0003456927
-
-
W. A. Benjamin, New York
-
C. A. Coulson, "Valence," 2nd ed, Oxford University Press, New York (1962); J. N. Murrell, S. F. A. Kettle, and J. M. Tedder, "The Chemical Bond," Wiley, New York (1978); L. Salem, "The Molecular orbital Theory of Conjugated Systems," W. A. Benjamin, New York (1966); K. Yates, "Hückel Molecular Orbital Theory," Academic Press, New York (1978).
-
(1966)
The Molecular Orbital Theory of Conjugated Systems
-
-
Salem, L.1
-
45
-
-
0003990339
-
-
Academic Press, New York
-
C. A. Coulson, "Valence," 2nd ed, Oxford University Press, New York (1962); J. N. Murrell, S. F. A. Kettle, and J. M. Tedder, "The Chemical Bond," Wiley, New York (1978); L. Salem, "The Molecular orbital Theory of Conjugated Systems," W. A. Benjamin, New York (1966); K. Yates, "Hückel Molecular Orbital Theory," Academic Press, New York (1978).
-
(1978)
Hückel Molecular Orbital Theory
-
-
Yates, K.1
-
49
-
-
3342900729
-
-
a) N. Björnå, J. Phys. B. 4, 424 (1971); J. Phys. B, 5, 721 (1972); J. Phys. B, 5, 732 (1972);
-
(1971)
J. Phys. B.
, vol.4
, pp. 424
-
-
Björnå, N.1
-
50
-
-
3342900729
-
-
a) N. Björnå, J. Phys. B. 4, 424 (1971); J. Phys. B, 5, 721 (1972); J. Phys. B, 5, 732 (1972);
-
(1972)
J. Phys. B
, vol.5
, pp. 721
-
-
-
51
-
-
3342900729
-
-
a) N. Björnå, J. Phys. B. 4, 424 (1971); J. Phys. B, 5, 721 (1972); J. Phys. B, 5, 732 (1972);
-
(1972)
J. Phys. B
, vol.5
, pp. 732
-
-
-
53
-
-
36849104916
-
-
W. J. Hehre, R. F. Ditchfield, R. F. Stewart, and J. A. Pople, J. Chem. Phys., 52, 2769 (1970).
-
(1970)
J. Chem. Phys.
, vol.52
, pp. 2769
-
-
Hehre, W.J.1
Ditchfield, R.F.2
Stewart, R.F.3
Pople, J.A.4
-
54
-
-
36849115659
-
-
R. Ditchfield, W. J. Hehre, and J. A. Pople J. Chem. Phys., 54, 724 (1971): W. J. Hehre and J. A. Pople, J. Chem. Phys., 56, 4233 (1972); J. D. Dill and J. A. Popie, J. Chem. Phys., 62, 2921 (1975).
-
(1971)
J. Chem. Phys.
, vol.54
, pp. 724
-
-
Ditchfield, R.1
Hehre, W.J.2
Pople, J.A.3
-
55
-
-
36849109128
-
-
R. Ditchfield, W. J. Hehre, and J. A. Pople J. Chem. Phys., 54, 724 (1971): W. J. Hehre and J. A. Pople, J. Chem. Phys., 56, 4233 (1972); J. D. Dill and J. A. Popie, J. Chem. Phys., 62, 2921 (1975).
-
(1972)
J. Chem. Phys.
, vol.56
, pp. 4233
-
-
Hehre, W.J.1
Pople, J.A.2
-
56
-
-
33751054402
-
-
R. Ditchfield, W. J. Hehre, and J. A. Pople J. Chem. Phys., 54, 724 (1971): W. J. Hehre and J. A. Pople, J. Chem. Phys., 56, 4233 (1972); J. D. Dill and J. A. Popie, J. Chem. Phys., 62, 2921 (1975).
-
(1975)
J. Chem. Phys.
, vol.62
, pp. 2921
-
-
Dill, J.D.1
Popie, J.A.2
-
57
-
-
0347616511
-
-
note
-
Swelling means that importance of the outer shell is intensified.
-
-
-
-
58
-
-
0002215899
-
-
ed by P. Löwdin, Academic Press, New York
-
a) M. J. Feinberg, K. Ruedenberg, and E. L. Mehler, "Advanees in Quantum Chemisiry,"ed by P. Löwdin, Academic Press, New York (1970), Vol. 5, p. 27;
-
(1970)
Advanees in Quantum Chemisiry
, vol.5
, pp. 27
-
-
Feinberg, M.J.1
Ruedenberg, K.2
Mehler, E.L.3
-
59
-
-
0042871394
-
-
ed by O. Chalvet, R. Daudel, S. Diner, and J. R. Malrieu, Reidel, Dordrecht
-
b) K. Ruedenberg, "Localization and Delocalization in Quantum Chemistry," ed by O. Chalvet, R. Daudel, S. Diner, and J. R. Malrieu, Reidel, Dordrecht (1975), Vol. 1, pp. 223-245.
-
(1975)
Localization and Delocalization in Quantum Chemistry
, vol.1
, pp. 223-245
-
-
Ruedenberg, K.1
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