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33645953570
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Charles, E., Ed.; Merrill Books: Columbus, OH, Chapter 10
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See for instance: Brown, T. L. In General Chemistry; Charles, E., Ed.; Merrill Books: Columbus, OH, 1963; Chapter 10.
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General Chemistry
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Brown, T.L.1
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0141710253
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(a) Ohtaki, H.; Fukushima, N.; Hayakawa, E.; Okada, I. Pure Appl. Chem. 1988, 60, 1321.
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Ohtaki, H.1
Fukushima, N.2
Hayakawa, E.3
Okada, I.4
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Fukushima, N.; Tamura, Y.; Ohtaki, H. Z. Naturforsch. 1991, 46a, 193.
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Fukushima, N.1
Tamura, Y.2
Ohtaki, H.Z.3
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14
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0042643164
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(b) Arshadi, M; Yamdagni, R.; Kebarle, P. J. Phys. Chem. 1970, 74, 1475.
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Arshadi, M.1
Yamdagni, R.2
Kebarle, P.3
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0001769292
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Yamabe, S.; Furumiya, Y.; Hiraoka, K.; Morise, K. Chem. Phys. Lett. 1986, 131, 261.
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Yamabe, S.1
Furumiya, Y.2
Hiraoka, K.3
Morise, K.4
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0004133516
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Gaussian: Pittsburgh, PA
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Frisch, M. J.; Trucks, G. W.; Schlegel, H. B.; Gill, P. M. W.; Johnson, B. G.; Robb, M. A.; Cheeseman, J. R.; Keith, T.; Petersson, G. A.; Montgomery, J. A.; Raghavachari, K.; Al-Laham, M. A.; Zakrzewski, V. G.; Ortiz, J. V.; Foresman, J. B.; Cioslowski, J.; Stefanov, B. B.; Nanayakkara, A.; Challacombe, M.; Peng, C. Y.; Ayala, P. Y.; Chen, W.; Wong, M. W.; Andres, J. L.; Replogle, E. S.; Gomperts, R.; Martin, R. L.; Fox, D. J.; Binkley, J. S.; Defrees, D. J.; Baker, J.; Stewart, J. P.; Head-Gordon, M.; Gonzalez, C.; Pople, J. A. Gaussian 94, Revision D.4; Gaussian: Pittsburgh, PA, 1995.
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Gaussian 94, Revision D.4
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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
Cioslowski, J.16
Stefanov, B.B.17
Nanayakkara, A.18
Challacombe, M.19
Peng, C.Y.20
Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
Andres, J.L.24
Replogle, E.S.25
Gomperts, R.26
Martin, R.L.27
Fox, D.J.28
Binkley, J.S.29
Defrees, D.J.30
Baker, J.31
Stewart, J.P.32
Head-Gordon, M.33
Gonzalez, C.34
Pople, J.A.35
more..
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19
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84986468715
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Clark, T.; Chandrasekhar, J.; Spitznagel, G. W.; Schleyer, P. v. R. J. Comput. Chem. 1983, 4, 294.
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Clark, T.1
Chandrasekhar, J.2
Spitznagel, G.W.3
V R, S.P.4
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20
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84890021933
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2O in n = 1a of Figure 2 is computed to be 30.7 kcal/mol, which is unreasonably larger than the 11.8 kcal/mol calculated at the B3LYP/6-311+G(2d,p) level. The bases set superposition error (BSSE) is checked for the RHF/3-21G energy according to Boys and Bernardi counterpoise correction (Boys, S. F.; Bernardi, F. Mol. Phys. 1970, 19, 553). The corrected RHF/3-21G energy is 17.5 kcal/mol, which is considerably smaller than 30.7 kcal/mol but still somewhat larger than the reliable value, 11.8 kcal/mol.
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(1970)
Mol. Phys.
, vol.19
, pp. 553
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Correction, B.C.1
Boys, S.F.2
Bernardi, F.3
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21
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85088334607
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note
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- dissociation models do not involve such method dependence.
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22
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0010827721
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+ ions is small (=0.97 Å), and the cation was classified to the hard-acid group (Pearson, R. G. J. Chem. Educ. 1968, 45, 581).
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(1968)
J. Chem. Educ.
, vol.45
, pp. 581
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Pearson, R.G.1
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