-
6
-
-
36749121308
-
-
P. J. Hay, W. R. Wadt, L. R. Kahn, R. C. Raffenetti, and D. H. Phillips, J. Chem. Phys. 71, 1767 (1979).
-
(1979)
J. Chem. Phys.
, vol.71
, pp. 1767
-
-
Hay, P.J.1
Wadt, W.R.2
Kahn, L.R.3
Raffenetti, R.C.4
Phillips, D.H.5
-
14
-
-
0041831685
-
-
E. Miyoshi, Y. Sakai, A. Murakami, H. Iwaki, H. Terashima, T. Shoda, and T. Kawaguchi, J. Chem. Phys. 89, 4193 (1988).
-
(1988)
J. Chem. Phys.
, vol.89
, pp. 4193
-
-
Miyoshi, E.1
Sakai, Y.2
Murakami, A.3
Iwaki, H.4
Terashima, H.5
Shoda, T.6
Kawaguchi, T.7
-
17
-
-
0010908547
-
-
C. Komel, G. Palm, R. Ahlrichs, M. Bar, and A. I. Boldyrev, Chem. Phys. Lett. 173, 151 (1990)
-
(1990)
Chem. Phys. Lett.
, vol.173
, pp. 151
-
-
Komel, C.1
Palm, G.2
Ahlrichs, R.3
Bar, M.4
Boldyrev, A.I.5
-
19
-
-
0002106092
-
-
H.-G. Weikert, L. S. Cederbaum, F. Tarantelli, and A. I. Boldyrev, Z. Phys. D 18, 299 (1991).
-
(1991)
Z. Phys. D
, vol.18
, pp. 299
-
-
Weikert, H.-G.1
Cederbaum, L.S.2
Tarantelli, F.3
Boldyrev, A.I.4
-
32
-
-
0029935231
-
-
M. Gutowski, A. I. Boldyrev, J. Simons, J. Raz, and J. Blazejowski, J. Am. Chem. Soc. 118, 1173 (1996).
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 1173
-
-
Gutowski, M.1
Boldyrev, A.I.2
Simons, J.3
Raz, J.4
Blazejowski, J.5
-
33
-
-
0001402162
-
-
G. L. Gutsev, R. J. Bartlett, A. I. Boldyrev, and J. Simons, J. Chem. Phys. 107, 3867 (1997).
-
(1997)
J. Chem. Phys.
, vol.107
, pp. 3867
-
-
Gutsev, G.L.1
Bartlett, R.J.2
Boldyrev, A.I.3
Simons, J.4
-
40
-
-
37049134718
-
-
J. Burgess, I. H. Haigh, R. D. Peacock, and P. Taylor, J. Chem. Soc. Dalton Trans. 10, 1064 (1974).
-
(1974)
J. Chem. Soc. Dalton Trans.
, vol.10
, pp. 1064
-
-
Burgess, J.1
Haigh, I.H.2
Peacock, R.D.3
Taylor, P.4
-
41
-
-
36749118220
-
-
C. B. Leffert, S. Y. Tang, E. W. Rothe, and T. C. Cheng, J. Chem. Phys. 61, 4929 (1974).
-
(1974)
J. Chem. Phys.
, vol.61
, pp. 4929
-
-
Leffert, C.B.1
Tang, S.Y.2
Rothe, E.W.3
Cheng, T.C.4
-
48
-
-
0000728364
-
-
B. P. Mathur, E. W. Rothe, S. Y. Tang, and K. Mahajan, J. Chem. Phys. 64, 1247 (1976).
-
(1976)
J. Chem. Phys.
, vol.64
, pp. 1247
-
-
Mathur, B.P.1
Rothe, E.W.2
Tang, S.Y.3
Mahajan, K.4
-
53
-
-
0039230312
-
-
NATO ASI Series C: Mathematical and Physical Sciences, edited by S. P. McGlynn, C. L. Findley, and R. A. Huebner Reidel, Boston
-
R. N. Compton, in Photophysics and Photochemistry in the Vacuum Ultraviolet, NATO ASI Series C: Mathematical and Physical Sciences, Vol. 142, edited by S. P. McGlynn, C. L. Findley, and R. A. Huebner (Reidel, Boston, 1985), p. 261.
-
(1985)
Photophysics and Photochemistry in the Vacuum Ultraviolet
, vol.142
, pp. 261
-
-
Compton, R.N.1
-
54
-
-
0346719293
-
-
N. A. Igolkina, M. I. Nikitin, O. V. Boltalina, and L. V. Sidorov, High. Temp. Sci. 21, 111 (1986).
-
(1986)
High. Temp. Sci.
, vol.21
, pp. 111
-
-
Igolkina, N.A.1
Nikitin, M.I.2
Boltalina, O.V.3
Sidorov, L.V.4
-
55
-
-
0023325782
-
-
N. A. Igolkina, M. I. Nikitin, L. V. Sidorov, and O. V. Boltalina, High. Temp. Sci. 23, 89 (1987).
-
(1987)
High. Temp. Sci.
, vol.23
, pp. 89
-
-
Igolkina, N.A.1
Nikitin, M.I.2
Sidorov, L.V.3
Boltalina, O.V.4
-
56
-
-
0010649280
-
-
A. Ya. Borshchevskii, O. V. Boltalina, I. D. Sorokin, and L. N. Sidorov, J. Chem. Thermodyn. 20, 523 (1988).
-
(1988)
J. Chem. Thermodyn.
, vol.20
, pp. 523
-
-
Borshchevskii, A.Ya.1
Boltalina, O.V.2
Sorokin, I.D.3
Sidorov, L.N.4
-
59
-
-
0011980679
-
-
edited by V. A. Esaulov Cambridge University Press, Cambridge
-
R. N. Compton, in Negative Ions, edited by V. A. Esaulov (Cambridge University Press, Cambridge, 1995).
-
(1995)
Negative Ions
-
-
Compton, R.N.1
-
62
-
-
0032575782
-
-
L. S. Wang, C. F. Ding, X. B. Wang, and J. B. Nicholas, Phys. Rev. Lett. 81. 2667 (1998).
-
(1998)
Phys. Rev. Lett.
, vol.81
, pp. 2667
-
-
Wang, L.S.1
Ding, C.F.2
Wang, X.B.3
Nicholas, J.B.4
-
65
-
-
0343532153
-
-
M. Urban, J. Noga, S. L. Cole, and J. Bartlett, J. Chem. Phys. 83, 4041 (1985).
-
(1985)
J. Chem. Phys.
, vol.83
, pp. 4041
-
-
Urban, M.1
Noga, J.2
Cole, S.L.3
Bartlett, J.4
-
66
-
-
0010922186
-
-
Gaussian, Inc., Pittsburgh PA
-
GAUSSIAN 94 (revision A.1). M. J. Frisch, G. M. Trucks, H. B. Schlegel, P. M. W. Gill, B. G. Johnson, M. A. Robb, J. R. Cheeseman, T. A. Keith, G. A. Petersson, J. A. Montgomery, K. Raghavachari, M. A. Al-Laham, V. G. Zakrzewski, J. V. Ortiz, J. B. Foresman, J. Cioslowski, B. B. Stefanov, A. Nanayakkara, M. Challacombe, 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. J. P. Stewart, M. Head-Gordon, C. Gonzales, and J. A. Pople, Gaussian, Inc., Pittsburgh PA, 1995.
-
(1995)
GAUSSIAN 94 (Revision A.1)
-
-
Frisch, M.J.1
Trucks, G.M.2
Schlegel, H.B.3
Gill, P.M.W.4
Johnson, B.G.5
Robb, M.A.6
Cheeseman, J.R.7
Keith, T.A.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.J.P.32
Head-Gordon, M.33
Gonzales, C.34
Pople, J.A.35
more..
-
67
-
-
26844534384
-
-
R. Krishnan, J. S. Binkley, R. Seeger, and J. A. Pople, J. Chem. Phys. 72, 650 (1980).
-
(1980)
J. Chem. Phys.
, vol.72
, pp. 650
-
-
Krishnan, R.1
Binkley, J.S.2
Seeger, R.3
Pople, J.A.4
-
69
-
-
84986468715
-
-
T. Clark, J. Chandrasekhar, G. W. Spitznagel, and P. v. R. Schleyer, J. Comput. Chem. 4, 294 (1983).
-
(1983)
J. Comput. Chem.
, vol.4
, pp. 294
-
-
Clark, T.1
Chandrasekhar, J.2
Spitznagel, G.W.3
Schleyer, P.V.R.4
-
77
-
-
0001081255
-
-
edited by E. S. Kryachko Kluwer, Dordrecht
-
J. V. Ortiz, V. G. Zakrzewski, and O. Dolgunitcheva, in Conceptual Trends in Quantum Chemistry, edited by E. S. Kryachko (Kluwer, Dordrecht, 1997), Vol. 3, p. 463.
-
(1997)
Conceptual Trends in Quantum Chemistry
, vol.3
, pp. 463
-
-
Ortiz, J.V.1
Zakrzewski, V.G.2
Dolgunitcheva, O.3
-
78
-
-
85034530534
-
-
note
-
The better agreement between our results at the OVGF level of theory and the experimental data than the results of Scheller and Cederbaum was due to cancellations of two errors in our calculations. One came from the limitation of our one-electron basis sets and another one (opposite sign) was due to the less complete account of the electron correlation effects in the OVGF method. Such cancellation did not happen in the Scheller and Cederbaum calculations. However, differences between the two calculations (0.2 eV) are really quite small.
-
-
-
-
79
-
-
0001105578
-
-
edited by J. Leszczynski World Scientlic, Singapore
-
J. V. Ortiz, in Computational Chemistry: Reviews of Current Trends, edited by J. Leszczynski (World Scientlic, Singapore, 1997), Vol. 2, pp. 1-61.
-
(1997)
Computational Chemistry: Reviews of Current Trends
, vol.2
, pp. 1-61
-
-
Ortiz, J.V.1
-
84
-
-
0000961952
-
-
T. M. Miller, D. G. Leopold, K. K. Murray, and W. C. Lineberger, J. Chem. Phys. 85, 2368 (1986).
-
(1986)
J. Chem. Phys.
, vol.85
, pp. 2368
-
-
Miller, T.M.1
Leopold, D.G.2
Murray, K.K.3
Lineberger, W.C.4
-
85
-
-
0040385138
-
-
A. W. Potts, T. A. Williams, and W. C. Prince, Proc. R. Soc. London, Ser. A 341, 147 (1974).
-
(1974)
Proc. R. Soc. London, Ser. A
, vol.341
, pp. 147
-
-
Potts, A.W.1
Williams, T.A.2
Prince, W.C.3
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