-
2
-
-
4043169348
-
-
for a similar approach to nucleophilic substitution reactions and corrections for the 1991 paper
-
(See also: Harcourt, R. D. J. Mol. Struct: THEOCHEM 1992, 253, 363 for a similar approach to nucleophilic substitution reactions and corrections for the 1991 paper.)
-
(1992)
J. Mol. Struct: THEOCHEM
, vol.253
, pp. 363
-
-
Harcourt, R.D.1
-
7
-
-
38149115254
-
-
Harcourt, R. D.; Schaefer, K.; Coote, M. L. J. Phys. Chem A 2007, 111, 13278.
-
(2007)
J. Phys. Chem A
, vol.111
, pp. 13278
-
-
Harcourt, R.D.1
Schaefer, K.2
Coote, M.L.3
-
8
-
-
6044256294
-
-
See for example: (a)
-
See for example: (a) Su, P.; Song, L.; Wu, W.; Hiberty, P. C.; Shaik, S. J. Am. Chem. Soc.: 2004, 126, 13539.
-
(2004)
J. Am. Chem. Soc.
, vol.126
, pp. 13539
-
-
Su, P.1
Song, L.2
Wu, W.3
Hiberty, P.C.4
Shaik, S.5
-
9
-
-
33644956200
-
-
Hiberty, P. C.; Megret, C.; Song, L.; Wu, W.; Shaik, S. J. Am. Chem. Soc. 2006, 128, 2836.
-
(2006)
Am. Chem. Soc.
, vol.128
, pp. 2836
-
-
Hiberty, P.C.1
Megret, C.2
Song, L.3
Wu, W.4
Shaik, S.J.5
-
11
-
-
0031285743
-
-
and refs 55 and 56 therein
-
Bachler, V. Theor. Chem. Ace. 1997, 96, 223, and refs 55 and 56 therein.
-
(1997)
Theor. Chem. Ace.
, vol.96
, pp. 223
-
-
Bachler, V.1
-
17
-
-
0040277077
-
-
(a) Nalewajski, R. F.; Köster, A. M.; Jug, K. Theor. Chim. Acta 1993, 85, 463.
-
(1993)
Theor. Chim. Acta
, vol.85
, pp. 463
-
-
Nalewajski, R.F.1
Köster, A.M.2
Jug, K.3
-
20
-
-
59749102412
-
-
The theory in this Erratum replaces that provided
-
The theory in this Erratum replaces that provided in Harcourt, R. D. J. Mol. Struct.: THEOCHEM 2009, 897, 83.
-
(2009)
J. Mol. Struct.: THEOCHEM
, vol.897
, pp. 83
-
-
Harcourt, R.D.1
-
21
-
-
34548589518
-
-
See also: (On p. 81, change -2.9066 a.u. to -2.9063 a.u.)
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See also: Harcourt, R. D. Trends Phys. Chem. 2006, 11, 79. (On p. 81, change -2.9066 a.u. to -2.9063 a.u.).
-
(2006)
Trends Phys. Chem.
, vol.11
, pp. 79
-
-
Harcourt, R.D.1
-
22
-
-
34548578143
-
-
and refs 3a-c, 4, 39b, 45, and 46b,c therein
-
Harcourt, R. D.; Klapötke, T. M. Trends Inorg. Chem. 2006, 9, 11, and refs 3a-c, 4, 39b, 45, and 46b,c therein.
-
(2006)
Trends Inorg. Chem.
, vol.9
, pp. 11
-
-
Harcourt, R.D.1
Klapötke, T.M.2
-
23
-
-
0000202231
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-
Faraday Trans. 2 when X and Y are equivalent atoms. For non-equivalent atoms, five variational parameters are needed, and these can be chosen as k' = k′, k″ = k″, l, λ, and ρ, for example
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Harcourt, R. D.; Harcourt, A. G. J. Chem. Soc., Faraday Trans. 2 1974, 70, 743. when X and Y are equivalent atoms. For non-equivalent atoms, five variational parameters are needed, and these can be chosen as k' = k′, k″ = k″, l, λ, and ρ, for example.
-
(1974)
J. Chem. Soc.
, vol.70
, pp. 743
-
-
Harcourt, R.D.1
Harcourt, A.G.2
-
24
-
-
0003416037
-
The electronic structures of electron-rich molecules
-
Springer-Verlag: Heidelberg, Germany, A 2003 update is available from the author
-
(a) Harcourt, R. D. The Electronic Structures of Electron-Rich Molecules; The Pauling "3-Electron Bond" and "Increased-Valence" Theory. Springer-Verlag: Heidelberg, Germany, 1982; Vol. 30. A 2003 update is available from the author,
-
(1982)
The Pauling "3-Electron Bond" and "Increased-Valence" Theory.
, vol.30
-
-
Harcourt, R.D.1
-
25
-
-
0038834682
-
-
3rd ed.; Riedel, E., Ed.; de Gruyter: Berlin, Germany, has provided numerous examples of increased-valence structures for four-electron three-center bonding units in particular
-
(b) Klapötke, T. M. In Moderne Anorganische Chemie, 3rd ed.; Riedel, E., Ed.; de Gruyter: Berlin, Germany, 2007 has provided numerous examples of increased-valence structures for four-electron three-center bonding units in particular.
-
(2007)
Moderne Anorganische Chemie
-
-
Klapötke, T.M.1
-
27
-
-
45449088924
-
-
the expanded valence shell structure X-R-Y with a truly divalent R-atom was also included in the calculations
-
Polo, V.; Gonzales-Navarrete, P.; Silvi, B.; Andres, J. Theor. Chem. Ace. 2008, 120, 341; the expanded valence shell structure X-R-Y with a truly divalent R-atom was also included in the calculations.
-
(2008)
Theor. Chem. Ace.
, vol.120
, pp. 341
-
-
Polo, V.1
Gonzales-Navarrete, P.2
Silvi, B.3
Andres, J.4
-
28
-
-
58149154528
-
-
DeBlase, A.; Licata, M.; Galbraith, J. M. J. Phys. Chem. A 2008, 112, 12806.
-
(2008)
J. Phys. Chem. A
, vol.112
, pp. 12806
-
-
DeBlase, A.1
Licata, M.2
Galbraith, J.M.3
-
33
-
-
70349917548
-
-
and references therein. It is noted that four-electron three-center as well as threeelectron three-center bonding units arise in the addition of acyl and silyl radicals to numerous π-systems;
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Pierrefixe, S. C. A. H.; van Straten, S. J. M.; van Straten, J. N. P.; Fonseca Guerra, C.; Bickelhaupt, F. M. Angew. Chem., Int. Ed. 2009, 48, 6469, and references therein. It is noted that four-electron three-center as well as threeelectron three-center bonding units arise in the addition of acyl and silyl radicals to numerous π-systems;
-
(2009)
Angew. Chem., Int. Ed
, vol.48
, pp. 6469
-
-
Pierrefixe, S.C.A.H.1
Van Straten, S.J.M.2
Van Straten, J.N.P.3
Fonseca Guerra, C.4
Bickelhaupt, F.M.5
-
34
-
-
33644752900
-
-
see: Schiesser, C. H.; Matsubara, H.; Ritsner, I.; Wille, U. Chem. Commun. 2006, 1067.
-
(2006)
Chem. Commun.
, pp. 1067
-
-
Schiesser, C.H.1
Matsubara, H.2
Ritsner, I.3
Wille, U.4
-
36
-
-
1242310600
-
-
(a) Blavins, J. J.; Cooper, D. L.; Karadakov, P. B. J. Phys. Chem. A 2004, 108, 914.
-
(2004)
J. Phys. Chem. A
, vol.108
, pp. 914
-
-
Blavins, J.J.1
Cooper, D.L.2
Karadakov, P.B.3
-
39
-
-
79959685652
-
-
ry)
-
ry).
-
-
-
-
45
-
-
0042377433
-
-
For twoelectron three-center and revised four-electron three-center theory of valence, with ZDO assumed
-
Harcourt, R. D. J. Mol. Struct.: THEOCHEM 2003, 634, 265. For twoelectron three-center and revised four-electron three-center theory of valence, with ZDO assumed,
-
(2003)
J. Mol. Struct.: THEOCHEM
, vol.634
, pp. 265
-
-
Harcourt, R.D.1
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