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For reviews see, L. A. Curtiss and K. Raghavachari, in Quantum Mechanical Electronic Structure Calculations with Chemical Accuracy, edited by S. R. Langhoff (Kluwer Academic, The Netherlands, 1995), p. 139;
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M. J. Frisch, G. W. 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. P. Stewart, M. Head-Gordon, C. Gonzales, and J. A. Pople GAUSSIAN 94, Gaussian, Inc. Pittsburgh, PA, 1995.
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Johnson, B.G.5
Robb, M.A.6
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Al-Laham, M.A.12
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Foresman, J.B.15
Cioslowski, J.16
Stefanov, B.B.17
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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
Gonzales, C.34
Pople, J.A.35
more..
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28
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22244463832
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The MP2(full)/6-31G(d) geometries and zero-point energies may be obtained via anonymous FTP from axp.cmt.anl.gov. The files are located in the directory g2testsets. The geometries can also be down loaded from
-
The MP2(full)/6-31G(d) geometries and zero-point energies may be obtained via anonymous FTP from axp.cmt.anl.gov. The files are located in the directory g2testsets. The geometries can also be down loaded from http://chemistry.anl.gov/compmat/comptherm.htm.
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