-
1
-
-
33645850606
-
-
Liebman, J. F., Greenberg, A., Eds.; Verlag Chemie: Weinheim, Chapter 1.
-
Dewar, M. J. S. In Modern Models of Bonding and Delocalization; Liebman, J. F., Greenberg, A., Eds.; Verlag Chemie: Weinheim, 1988; Chapter 1.
-
(1988)
Modern Models of Bonding and Delocalization
-
-
Dewar, M.J.S.1
-
4
-
-
0003697215
-
-
Snyder, J. P., Ed.; Academic Press: New York
-
Dauben, H. J., Jr.; Wilson, J. D.; Laity, J. L. In Nonbenzoid Aromaticity; Snyder, J. P., Ed.; Academic Press: New York, 1971; Vol. II.
-
(1971)
Nonbenzoid Aromaticity
, vol.2
-
-
Dauben Jr., H.J.1
Wilson, J.D.2
Laity, J.L.3
-
5
-
-
0011190497
-
-
von, R. Schleyer, P.; Maerker, C.; Dransfeld, A.; Jiao, H.; van, E. Hommes, N. J. R. J. Am. Chem. Soc. 1996, 118, 6317.
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 6317
-
-
Schleyer, V.R.1
Maerker, P.2
Dransfeld, A.3
Jiao, H.4
Van Hommes, N.J.R.5
-
6
-
-
0032483748
-
-
Verevkin, S. P.; Beckhaus, H.-D.; Rüchardt, C.; Haag, R.; Kozhushkov, S. I.; Zywietz, T.; de Meijere, A.; Jiao, H.; von, R. Schleyer, P. J. Am. Chem. Soc. 1998, 120, 11130.
-
(1998)
J. Am. Chem. Soc.
, vol.120
, pp. 11130
-
-
Verevkin, S.P.1
Beckhaus, H.-D.2
Rüchardt, C.3
Haag, R.4
Kozhushkov, S.I.5
Zywietz, T.6
De Meijere, A.7
Jiao, H.8
Von Schleyer, P.9
-
8
-
-
85088172480
-
-
60, for example, exhibits an unexpectedly small bulk magnetic susceptibility, which was found to be due to a cancelation of dia- and paramagnetic ring current susceptibilies in six- and five-membered rings by a local analysis of the current density (ref 9).
-
60, for example, exhibits an unexpectedly small bulk magnetic susceptibility, which was found to be due to a cancelation of dia- and paramagnetic ring current susceptibilies in six- and five-membered rings by a local analysis of the current density (ref 9).
-
-
-
-
9
-
-
0001321586
-
-
Pasquarello, A.; Schlüter, M.; Haddon, R. C. Science 1992, 257, 1660.
-
(1992)
Science
, vol.257
, pp. 1660
-
-
Pasquarello, A.1
Schlüter, M.2
Haddon, R.C.3
-
14
-
-
0041699423
-
-
Cernusak, I.; Fowler, P. W.; Steiner, E. Mol. Phys. 1997, 97, 401.
-
(1997)
Mol. Phys.
, vol.97
, pp. 401
-
-
Cernusak, I.1
Fowler, P.W.2
Steiner, E.3
-
15
-
-
0030597628
-
-
Fowler, P. W.; Zanasi, R.; Cadoli, B.; Steiner, E. Chem. Phys. Lett. 1996, 251, 132.
-
(1996)
Chem. Phys. Lett.
, vol.251
, pp. 132
-
-
Fowler, P.W.1
Zanasi, R.2
Cadoli, B.3
Steiner, E.4
-
17
-
-
0000177812
-
-
Fowler, P. W.; Steiner, E.; Cadioli, B.; Zanasi, R. J. Phys. Chem. A 1998, 702, 7297-7302.
-
(1998)
J. Phys. Chem. A
, vol.702
, pp. 7297-7302
-
-
Fowler, P.W.1
Steiner, E.2
Cadioli, B.3
Zanasi, R.4
-
18
-
-
0033575067
-
-
Ligabue, A.; Pincelli, U.; Lazaretti, P.; Zanasi, R. J. Am. Chem. Soc. 1999, 727, 5513.
-
(1999)
J. Am. Chem. Soc.
, vol.727
, pp. 5513
-
-
Ligabue, A.1
Pincelli, U.2
Lazaretti, P.3
Zanasi, R.4
-
19
-
-
0032213079
-
-
Wallenborn, E.-U.; Haldimann, R. F.; Klarner, F.-G.; Diederich, F. Chem. Eur. J. 1998, 4, 2258.
-
(1998)
Chem. Eur. J.
, vol.4
, pp. 2258
-
-
Wallenborn, E.-U.1
Haldimann, R.F.2
Klarner, F.-G.3
Diederich, F.4
-
20
-
-
33645886237
-
Infrared and Raman Spectra of Polyatomic Molecules, 2nd ed.
-
Krieger Publishing Co.: Malabar, FL, eq III
-
For derivation and proof of the equation used by Wallenborn et al. the following literature was cited: Herzberg, G. Infrared and Raman Spectra of Polyatomic Molecules, 2nd ed.; Molecular Spectra and Structure, Vol. II; Krieger Publishing Co.: Malabar, FL, 1991; eq III, p 20.
-
(1991)
Molecular Spectra and Structure
, vol.2
, pp. 20
-
-
Herzberg, G.1
-
22
-
-
0011698147
-
-
Kutzelnigg, W.; Fleischer, U.; Schindler, M. NMR Basic Principles Prog. 1990, 23, 185.
-
(1990)
NMR Basic Principles Prog.
, vol.23
, pp. 185
-
-
Kutzelnigg, W.1
Fleischer, U.2
Schindler, M.3
-
23
-
-
1242268874
-
-
Cheeseman, J. R.; Trucks, G. W.; Keith, T. A.; Frisch, M. J. J. Chem. Phys. 1996, 104, 5497-5509.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 5497-5509
-
-
Cheeseman, J.R.1
Trucks, G.W.2
Keith, T.A.3
Frisch, M.J.4
-
24
-
-
0004133516
-
-
Gaussian' Inc.: Pittsburgh, PA
-
Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Scuseria, G. E.; Robb, M. A.; Cheeseman, J. R.; Zakrzewski, V. G.; Montgomery, J. A., Jr.; Stratmann, R. E.; Burant, J. C.; Dapprich, S.; Millam, J. M.; Daniels, A. D.; Kudin, K. N.; Strain, M. C.; Farkas, O.; Tomasi, J.; Barone, V.; Cossi, M.; Cammi, R.; Mennucci, B.; Pomelli, C.; Adamo, C.; Clifford, S.; Ochterski, J.; Petersson, G. A.; Ayala, P. Y.; Cui, Q.; Morokuma, K.; Malick, D. K.; Rabuck, A. D.; Raghavachari, K.; Foresman, J. B.; Cioslowski, J.; Ortiz, J. V.; Stefanov, B. B.; Liu, G.; Liashenko, A.; Piskorz, P.; Komaromi, L; Gomperts, R.; Martin, R. L.; Fox, D. J.; Keith, T.; Al-Laham, M. A.; Peng, C. Y.; Nanayakkara, A.; Gonzalez, C.; Challacombe, M.; Gill, P. M. W.; Johnson, B. G.; Chen, W.; Wong, M. W.; Andres, J. L.; Head-Gordon M.; Replogle, E. S.; Pople, J. A. Gaussian 98, revision A.6; Gaussian' Inc.: Pittsburgh, PA, 1998.
-
(1998)
Gaussian 98, Revision A.6
-
-
Frisch, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Scuseria, G.E.4
Robb, M.A.5
Cheeseman, J.R.6
Zakrzewski, V.G.7
Montgomery Jr., J.A.8
Stratmann, R.E.9
Burant, J.C.10
Dapprich, S.11
Millam, J.M.12
Daniels, A.D.13
Kudin, K.N.14
Strain, M.C.15
Farkas, O.16
Tomasi, J.17
Barone, V.18
Cossi, M.19
Cammi, R.20
Mennucci, B.21
Pomelli, C.22
Adamo, C.23
Clifford, S.24
Ochterski, J.25
Petersson, G.A.26
Ayala, P.Y.27
Cui, Q.28
Morokuma, K.29
Malick, D.K.30
Rabuck, A.D.31
Raghavachari, K.32
Foresman, J.B.33
Cioslowski, J.34
Ortiz, J.V.35
Stefanov, B.B.36
Liu, G.37
Liashenko, A.38
Piskorz, P.39
Komaromi, L.40
Gomperts, R.41
Martin, R.L.42
Fox, D.J.43
Keith, T.44
Al-Laham, M.A.45
Peng, C.Y.46
Nanayakkara, A.47
Gonzalez, C.48
Challacombe, M.49
Gill, P.M.W.50
Johnson, B.G.51
Chen, W.52
Wong, M.W.53
Andres, J.L.54
Head-Gordon, M.55
Replogle, E.S.56
Pople, J.A.57
more..
-
25
-
-
0011573997
-
-
Kutzelnigg, W.; Fleischer, U.; Schindler, M. NMR Basic Principle, Prog. 1963, 38, 550-560.
-
(1963)
NMR Basic Principle, Prog.
, vol.38
, pp. 550-560
-
-
Kutzelnigg, W.1
Fleischer, U.2
Schindler, M.3
-
26
-
-
33645889864
-
-
Such a function has to be symmetrical with respect to a rotation around the z-axis and antisymmetrical with respect to reflection in the a mirror planes. This condition cannot be met with any scalar function except the trivial solution f(x,y,z) = 0 but only with vector functions
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Such a function has to be symmetrical with respect to a rotation around the z-axis and antisymmetrical with respect to reflection in the a mirror planes. This condition cannot be met with any scalar function except the trivial solution f(x,y,z) = 0 but only with vector functions.
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29
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33645893967
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The critical isosurface value for cyclohexane, cyclopropane and benzene are 0.0459, 0.0529 and 0.0740.
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The critical isosurface value for cyclohexane, cyclopropane and benzene are 0.0459, 0.0529 and 0.0740.
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-
-
-
32
-
-
0018784178
-
-
Houk, K. N.; Candour, R. W.; Strzier, R. W.; Rondan, N. GPaquette, L. A. J. Am. Chem. Soc. 1979, 101, 6797-6802.
-
(1979)
J. Am. Chem. Soc.
, vol.101
, pp. 6797-6802
-
-
Houk, K.N.1
Candour, R.W.2
Strzier, R.W.3
Rondan, N.4
Gpaquette, L.A.5
-
33
-
-
84985657472
-
-
Roth, W. R.; Klärner, F.-G.; Siepert, G.; Lennartz; H.-W. Chem Ber. 1992, 725, 217.
-
(1992)
Chem Ber.
, vol.725
, pp. 217
-
-
Roth, W.R.1
Klärner, F.-G.2
Siepert, G.3
Lennartz, H.-W.4
-
35
-
-
0008610602
-
-
Grant, D. M., Harris, R K., Eds; John Wiley and Sons: New York
-
Review: Webb, G. A. Shielding: Overview of Theoretical Methods in Encyclopedia of Nuclear Magnetic Resonance; Grant, D. M., Harris, R K., Eds; John Wiley and Sons: New York, 1996; Vol. 7, p 4307-4318.
-
(1996)
Shielding: Overview of Theoretical Methods in Encyclopedia of Nuclear Magnetic Resonance
, vol.7
, pp. 4307-4318
-
-
Webb, G.A.1
-
36
-
-
1242268874
-
-
Review: Cheeseman, J. R.; Trucks, G. W.; Keith, T. A.; Frisch, M. J. J. Chem. Phys. 1996, 104, 5497-5509.
-
(1996)
J. Chem. Phys.
, vol.104
, pp. 5497-5509
-
-
Cheeseman, J.R.1
Trucks, G.W.2
Keith, T.A.3
Frisch, M.J.4
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