-
1
-
-
0001224781
-
-
Quin, L. D.; Keglevich, G.; Ionkin, A. S.; Kalgutkar, R., Szalontai, G. J. Org. Chem. 1996, 61, 7801.
-
(1996)
J. Org. Chem.
, vol.61
, pp. 7801
-
-
Quin, L.D.1
Keglevich, G.2
Ionkin, A.S.3
Kalgutkar, R.4
Szalontai, G.5
-
4
-
-
0011265732
-
-
1 orbital: (a) Distefano, G.; Pignatoro, S.; Innorta, G.; Fringuelli, F.; Marino, G.; Taticchi, A. Chem. Phys. Lett. 1973, 22, 132. (b) Schäfer, W.; Schweig, A.; Gronowitz, S.; Taticchi, A.; Fringuelli, F. J. Chem. Soc., Chem. Commun. 1973, 541.
-
(1973)
Chem. Phys. Lett.
, vol.22
, pp. 132
-
-
Distefano, G.1
Pignatoro, S.2
Innorta, G.3
Fringuelli, F.4
Marino, G.5
Taticchi, A.6
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5
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-
37049131548
-
-
1 orbital: (a) Distefano, G.; Pignatoro, S.; Innorta, G.; Fringuelli, F.; Marino, G.; Taticchi, A. Chem. Phys. Lett. 1973, 22, 132. (b) Schäfer, W.; Schweig, A.; Gronowitz, S.; Taticchi, A.; Fringuelli, F. J. Chem. Soc., Chem. Commun. 1973, 541.
-
(1973)
J. Chem. Soc., Chem. Commun.
, pp. 541
-
-
Schäfer, W.1
Schweig, A.2
Gronowitz, S.3
Taticchi, A.4
Fringuelli, F.5
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7
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85087582839
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note
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5 This (destabilizing) interaction was shown to be the most effective for tetrahydrofuran, thus without this destabilization an even higher lone pair IE should be expected for the oxygen lone pair.
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-
-
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8
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0000944473
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Epiotis, N. D.; Cherry, W. R.; Bernardi, F.; Hehre, W. J. J. Am. Chem. Soc. 1976, 98, 4361.
-
(1976)
J. Am. Chem. Soc.
, vol.98
, pp. 4361
-
-
Epiotis, N.D.1
Cherry, W.R.2
Bernardi, F.3
Hehre, W.J.4
-
9
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-
0042621862
-
-
(a) Katritzky, A. R.; Barczynsky, P.; Musumarra, G.; Pisano, D.; Szafran, M. J. Am. Chem. Soc. 1989, 111, 7.
-
(1989)
J. Am. Chem. Soc.
, vol.111
, pp. 7
-
-
Katritzky, A.R.1
Barczynsky, P.2
Musumarra, G.3
Pisano, D.4
Szafran, M.5
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10
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33748247829
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-
(b) Schleyer, P. v. R.; Freeman, P. K.; Jias, H.; Goldfuss, B. Angew. Chem., Int. Ed. Engl. 1995, 34, 337.
-
(1995)
Angew. Chem., Int. Ed. Engl.
, vol.34
, pp. 337
-
-
Schleyer, P.V.R.1
Freeman, P.K.2
Jias, H.3
Goldfuss, B.4
-
12
-
-
0000733861
-
-
Aue, D. H.; Webb, H. M.; Bowers, M. T. J. Am. Chem. Soc. 1975, 97, 4136.
-
(1975)
J. Am. Chem. Soc.
, vol.97
, pp. 4136
-
-
Aue, D.H.1
Webb, H.M.2
Bowers, M.T.3
-
13
-
-
84981884193
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-
Schäfer, W.; Schweig, A.; Märkl, G.; Hauptmann, H.; Mathey, F. Angew. Chem., Int. Ed. Engl. 1973, 12, 145.
-
(1973)
Angew. Chem., Int. Ed. Engl.
, vol.12
, pp. 145
-
-
Schäfer, W.1
Schweig, A.2
Märkl, G.3
Hauptmann, H.4
Mathey, F.5
-
14
-
-
33847798030
-
-
Schäfer, W.; Schweig, A.; Mathey, F. J. Am. Chem. Soc. 1976, 98, 407.
-
(1976)
J. Am. Chem. Soc.
, vol.98
, pp. 407
-
-
Schäfer, W.1
Schweig, A.2
Mathey, F.3
-
17
-
-
0027663543
-
-
(b) Haddon, R. C. Science 1993, 261, 1545.
-
(1993)
Science
, vol.261
, pp. 1545
-
-
Haddon, R.C.1
-
18
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85087580842
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note
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10 as well as the position of the 7.9 eV shoulder of 1 can be given with an uncertainty of about 0.05 eV.
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19
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0004014402
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Butterworths: London
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The ionization cross section of phosphorus s-type orbitals, which have a large contribution in the a′ MO involved in the ionization, is known to decrease under HeII conditions. Eland, J. H. D. Photoelectron Spectroscopy; 2nd ed.; Butterworths: London, 1983; p 73.
-
(1983)
Photoelectron Spectroscopy; 2nd Ed.
, pp. 73
-
-
Eland, J.H.D.1
-
23
-
-
0004133516
-
-
Gaussian, Inc., Pittsburgh, PA
-
GAUSSIAN 92/DFT, Revision F.3. Frish, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Wong, W.; Foresman, J. B.; Robb, M. A.; Head-Gordon, M.; Replogle, E. S.; Gomperts, M.; Andrews, J. A.; Ragchavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; Defrees, J.; Baker, J.; Stewart, J. P.; Pople, J. A. Gaussian, Inc., Pittsburgh, PA, 1993.
-
(1993)
GAUSSIAN 92/DFT, Revision F.3
-
-
Frish, M.J.1
Trucks, G.W.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Wong, W.6
Foresman, J.B.7
Robb, M.A.8
Head-Gordon, M.9
Replogle, E.S.10
Gomperts, M.11
Andrews, J.A.12
Ragchavachari, K.13
Binkley, J.S.14
Gonzalez, C.15
Martin, R.L.16
Fox, D.J.17
Defrees, J.18
Baker, J.19
Stewart, J.P.20
Pople, J.A.21
more..
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25
-
-
0345491105
-
-
(b) Lee, C.; Young, W.; Parr, R. G. Phys. Rev. 1988, B37, 785;
-
(1988)
Phys. Rev.
, vol.B37
, pp. 785
-
-
Lee, C.1
Young, W.2
Parr, R.G.3
-
26
-
-
0038596731
-
-
(c) Miehlich, B.; Savin, A.; Stoll, H.; Preuss, H. Chem. Phys. Lett. 1989, 157, 200.
-
(1989)
Chem. Phys. Lett.
, vol.157
, pp. 200
-
-
Miehlich, B.1
Savin, A.2
Stoll, H.3
Preuss, H.4
-
27
-
-
0003484909
-
-
Caos/Camm Center: Nijmegen, The Netherlands
-
Schaftenaar, G. MOLDEN 2.5; Caos/Camm Center: Nijmegen, The Netherlands, 1994.
-
(1994)
MOLDEN 2.5
-
-
Schaftenaar, G.1
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