-
1
-
-
0003958846
-
-
Wiley, New York
-
P. J. Garrat, Aromaticity (Wiley, New York, 1986); D. Lewis and D. Peters, Facts and Theory of Aromaticity (Macmillan, London, 1975); V. I. Minkin, M. N. Glukhovtsev, and B. Y. Simkin, Aromaticity and Antiaromaticity: Electronic and Structural Aspects (Wiley, New York, 1994); M. Glukhovtsev, J. Chem. Ed. 74, 132 (1997) and references therein.
-
(1986)
Aromaticity
-
-
Garrat, P.J.1
-
2
-
-
0004026305
-
-
Macmillan, London
-
P. J. Garrat, Aromaticity (Wiley, New York, 1986); D. Lewis and D. Peters, Facts and Theory of Aromaticity (Macmillan, London, 1975); V. I. Minkin, M. N. Glukhovtsev, and B. Y. Simkin, Aromaticity and Antiaromaticity: Electronic and Structural Aspects (Wiley, New York, 1994); M. Glukhovtsev, J. Chem. Ed. 74, 132 (1997) and references therein.
-
(1975)
Facts and Theory of Aromaticity
-
-
Lewis, D.1
Peters, D.2
-
3
-
-
0004142484
-
-
Wiley, New York
-
P. J. Garrat, Aromaticity (Wiley, New York, 1986); D. Lewis and D. Peters, Facts and Theory of Aromaticity (Macmillan, London, 1975); V. I. Minkin, M. N. Glukhovtsev, and B. Y. Simkin, Aromaticity and Antiaromaticity: Electronic and Structural Aspects (Wiley, New York, 1994); M. Glukhovtsev, J. Chem. Ed. 74, 132 (1997) and references therein.
-
(1994)
Aromaticity and Antiaromaticity: Electronic and Structural Aspects
-
-
Minkin, V.I.1
Glukhovtsev, M.N.2
Simkin, B.Y.3
-
4
-
-
0000062558
-
-
and references therein
-
P. J. Garrat, Aromaticity (Wiley, New York, 1986); D. Lewis and D. Peters, Facts and Theory of Aromaticity (Macmillan, London, 1975); V. I. Minkin, M. N. Glukhovtsev, and B. Y. Simkin, Aromaticity and Antiaromaticity: Electronic and Structural Aspects (Wiley, New York, 1994); M. Glukhovtsev, J. Chem. Ed. 74, 132 (1997) and references therein.
-
(1997)
J. Chem. Ed.
, vol.74
, pp. 132
-
-
Glukhovtsev, M.1
-
5
-
-
0004188084
-
-
IFI/Plenum Data Corp.: New York
-
R. Zahradnik and J. Pancir, HMO Energy Characteristics (IFI/Plenum Data Corp.: New York, 1970); M. J. S. Dewar and R. C. Dougherty, PMO Theory of Organic Chemistry (Plenum, New York, 1975).
-
(1970)
HMO Energy Characteristics
-
-
Zahradnik, R.1
Pancir, J.2
-
7
-
-
3843053680
-
-
F. Sondheimer, Pure Appl. Chem. 28, 33 (1971); F. Sondheimer, Ace. Chem. Res. 5, 81 (1972) and references therein. For instance, see: M. N. Glukhovtsev and R.v.R. Schleyer, Chem. Phys. Lett. 198, 547 (1992); M. N. Glukhovtsev and S. Laiter, Theor. Chem. Acta 92, 327 (1995); T. J. Lee, W. D. Rice, W. D. Allen, R. B. Remington, and H. F. Schaefer, Chem. Phys. 52, 2126 (1988) and references therein.
-
(1971)
Pure Appl. Chem.
, vol.28
, pp. 33
-
-
Sondheimer, F.1
-
8
-
-
0011985659
-
-
and references therein
-
F. Sondheimer, Pure Appl. Chem. 28, 33 (1971); F. Sondheimer, Ace. Chem. Res. 5, 81 (1972) and references therein. For instance, see: M. N. Glukhovtsev and R.v.R. Schleyer, Chem. Phys. Lett. 198, 547 (1992); M. N. Glukhovtsev and S. Laiter, Theor. Chem. Acta 92, 327 (1995); T. J. Lee, W. D. Rice, W. D. Allen, R. B. Remington, and H. F. Schaefer, Chem. Phys. 52, 2126 (1988) and references therein.
-
(1972)
Ace. Chem. Res.
, vol.5
, pp. 81
-
-
Sondheimer, F.1
-
9
-
-
44049111101
-
-
F. Sondheimer, Pure Appl. Chem. 28, 33 (1971); F. Sondheimer, Ace. Chem. Res. 5, 81 (1972) and references therein. For instance, see: M. N. Glukhovtsev and R.v.R. Schleyer, Chem. Phys. Lett. 198, 547 (1992); M. N. Glukhovtsev and S. Laiter, Theor. Chem. Acta 92, 327 (1995); T. J. Lee, W. D. Rice, W. D. Allen, R. B. Remington, and H. F. Schaefer, Chem. Phys. 52, 2126 (1988) and references therein.
-
(1992)
Chem. Phys. Lett.
, vol.198
, pp. 547
-
-
Glukhovtsev, M.N.1
Schleyer, R.V.R.2
-
10
-
-
0000003756
-
-
F. Sondheimer, Pure Appl. Chem. 28, 33 (1971); F. Sondheimer, Ace. Chem. Res. 5, 81 (1972) and references therein. For instance, see: M. N. Glukhovtsev and R.v.R. Schleyer, Chem. Phys. Lett. 198, 547 (1992); M. N. Glukhovtsev and S. Laiter, Theor. Chem. Acta 92, 327 (1995); T. J. Lee, W. D. Rice, W. D. Allen, R. B. Remington, and H. F. Schaefer, Chem. Phys. 52, 2126 (1988) and references therein.
-
(1995)
Theor. Chem. Acta
, vol.92
, pp. 327
-
-
Glukhovtsev, M.N.1
Laiter, S.2
-
11
-
-
85034476529
-
-
and references therein
-
F. Sondheimer, Pure Appl. Chem. 28, 33 (1971); F. Sondheimer, Ace. Chem. Res. 5, 81 (1972) and references therein. For instance, see: M. N. Glukhovtsev and R.v.R. Schleyer, Chem. Phys. Lett. 198, 547 (1992); M. N. Glukhovtsev and S. Laiter, Theor. Chem. Acta 92, 327 (1995); T. J. Lee, W. D. Rice, W. D. Allen, R. B. Remington, and H. F. Schaefer, Chem. Phys. 52, 2126 (1988) and references therein.
-
(1988)
Chem. Phys.
, vol.52
, pp. 2126
-
-
Lee, T.J.1
Rice, W.D.2
Allen, W.D.3
Remington, R.B.4
Schaefer, H.F.5
-
15
-
-
0010922186
-
-
Gaussian, Inc., Pittsburgh, PA
-
Gaussian 94, Revision B.3, M. J. Frisch, G. W. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, 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)
Gaussian 94, Revision B.3
-
-
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.8
Petersson, G.A.9
Montgomery, J.A.10
Raghavachari, K.11
Al-Laham, M.A.12
Zakrzewski, V.G.13
Ortiz, J.V.14
Foresman, J.B.15
Peng, C.Y.16
Ayala, P.Y.17
Chen, W.18
Wong, M.W.19
Andres, J.L.20
Replogle, E.S.21
Gomperts, R.22
Martin, R.L.23
Fox, D.J.24
Binkley, J.S.25
Defrees, D.J.26
Baker, J.27
Stewart, J.P.28
Head-Gordon, M.29
Gonzalez, C.30
Pople, J.A.31
more..
-
16
-
-
0000664876
-
-
L. A. Curtiss, C. Jones, G. W. Trucks, K. Raghavachari, and J. A. Pople, J. Chem. Phys. 93, 2537 (1990); L. A. Curtiss, K. Raghavachari, G. W. Trucks, and J. A. Pople, J. Chem. Phys. 94, 7221 (1991).
-
(1990)
J. Chem. Phys.
, vol.93
, pp. 2537
-
-
Curtiss, L.A.1
Jones, C.2
Trucks, G.W.3
Raghavachari, K.4
Pople, J.A.5
-
17
-
-
0041401966
-
-
L. A. Curtiss, C. Jones, G. W. Trucks, K. Raghavachari, and J. A. Pople, J. Chem. Phys. 93, 2537 (1990); L. A. Curtiss, K. Raghavachari, G. W. Trucks, and J. A. Pople, J. Chem. Phys. 94, 7221 (1991).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 7221
-
-
Curtiss, L.A.1
Raghavachari, K.2
Trucks, G.W.3
Pople, J.A.4
-
18
-
-
36449007061
-
-
G. A. Petersson, T. G. Tensfeldt, and J. A. Montgomery, Jr., J. Chem. Phys. 94, 6091 (1991); J. A. Montgomery, J. W. Ochterski, and G. A. Petersson. J. Chem. Phys. 101, 5900 (1994).
-
(1991)
J. Chem. Phys.
, vol.94
, pp. 6091
-
-
Petersson, G.A.1
Tensfeldt, T.G.2
Montgomery Jr., J.A.3
-
19
-
-
0000215083
-
-
G. A. Petersson, T. G. Tensfeldt, and J. A. Montgomery, Jr., J. Chem. Phys. 94, 6091 (1991); J. A. Montgomery, J. W. Ochterski, and G. A. Petersson. J. Chem. Phys. 101, 5900 (1994).
-
(1994)
J. Chem. Phys.
, vol.101
, pp. 5900
-
-
Montgomery, J.A.1
Ochterski, J.W.2
Petersson, G.A.3
-
22
-
-
0003422992
-
-
Gaussian, Inc., Pittsburgh, PA
-
J. B. Foresman and Æ. Frisch, Exploring Chemistry with Electronic Structure Methods, 2nd ed. (Gaussian, Inc., Pittsburgh, PA, 1996).
-
(1996)
Exploring Chemistry with Electronic Structure Methods, 2nd Ed.
-
-
Foresman, J.B.1
Frisch, A.2
-
24
-
-
84912069958
-
-
M. N. Glukhovtsev, P.v.R. Schleyer, N. J. R. van Eikeman Hommes, and J. W. de M. Carneiro, J. Comp. Chem. 14, 285 (1993); P. C. Hiberty, D. Danovich, A. Shurki, and S. S. Shaik, J. Am. Chem. Soc. 117, 7760 (1995); D. Heidrich, N. J. R. van Eikeman Hommes, and P.v.R. Schleyer, J. Comp. Chem. 14, 1149 (1993).
-
(1993)
J. Comp. Chem.
, vol.14
, pp. 285
-
-
Glukhovtsev, M.N.1
Schleyer, P.V.R.2
Van Eikeman Hommes, N.J.R.3
Carneiro, J.W.D.M.4
-
25
-
-
0000502724
-
-
M. N. Glukhovtsev, P.v.R. Schleyer, N. J. R. van Eikeman Hommes, and J. W. de M. Carneiro, J. Comp. Chem. 14, 285 (1993); P. C. Hiberty, D. Danovich, A. Shurki, and S. S. Shaik, J. Am. Chem. Soc. 117, 7760 (1995); D. Heidrich, N. J. R. van Eikeman Hommes, and P.v.R. Schleyer, J. Comp. Chem. 14, 1149 (1993).
-
(1995)
J. Am. Chem. Soc.
, vol.117
, pp. 7760
-
-
Hiberty, P.C.1
Danovich, D.2
Shurki, A.3
Shaik, S.S.4
-
26
-
-
0001006036
-
-
M. N. Glukhovtsev, P.v.R. Schleyer, N. J. R. van Eikeman Hommes, and J. W. de M. Carneiro, J. Comp. Chem. 14, 285 (1993); P. C. Hiberty, D. Danovich, A. Shurki, and S. S. Shaik, J. Am. Chem. Soc. 117, 7760 (1995); D. Heidrich, N. J. R. van Eikeman Hommes, and P.v.R. Schleyer, J. Comp. Chem. 14, 1149 (1993).
-
(1993)
J. Comp. Chem.
, vol.14
, pp. 1149
-
-
Heidrich, D.1
Van Eikeman Hommes, N.J.R.2
Schleyer, P.V.R.3
-
27
-
-
0345262317
-
-
M. J. Robinowitz and W. C. Garsiner, Chem. Phys. Lett. 124, 63 (1986) . The barrier estimated for six center molecular hydrogen exchange is predicted to be 45 kcal/mol on the basis of the shock to be studied. Some of the literary reports suggest that this energy could be too low. A. Lifshitz, M. Bidani, and H. F. Caroll, J. Chem. Phys. 79, 2742 (1983) and references therein.
-
(1986)
Chem. Phys. Lett.
, vol.124
, pp. 63
-
-
Robinowitz, M.J.1
Garsiner, W.C.2
-
28
-
-
0001178148
-
-
and references therein
-
M. J. Robinowitz and W. C. Garsiner, Chem. Phys. Lett. 124, 63 (1986) . The barrier estimated for six center molecular hydrogen exchange is predicted to be 45 kcal/mol on the basis of the shock to be studied. Some of the literary reports suggest that this energy could be too low. A. Lifshitz, M. Bidani, and H. F. Caroll, J. Chem. Phys. 79, 2742 (1983) and references therein.
-
(1983)
J. Chem. Phys.
, vol.79
, pp. 2742
-
-
Lifshitz, A.1
Bidani, M.2
Caroll, H.F.3
|