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Curtiss, L.A.1
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0000142072
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edited by S. R. Langhoff Kluwer Academic, Netherlands
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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, Netherlands, 1995), p. 139; K. Raghavachari and L. A. Curtiss, in Modern Electronic Structure Theory, edited by D. R. Yarkony (World Scientific, Singapore, 1995), p. 991.
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Curtiss, L.A.1
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0009356326
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edited by D. R. Yarkony World Scientific, Singapore
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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, Netherlands, 1995), p. 139; K. Raghavachari and L. A. Curtiss, in Modern Electronic Structure Theory, edited by D. R. Yarkony (World Scientific, Singapore, 1995), p. 991.
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Curtiss, L.A.2
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Gaussian, Inc. Pittsburgh
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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, 1995.
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Ayala, P.Y.21
Chen, W.22
Wong, M.W.23
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Replogle, E.S.25
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L. A. Curtiss, K. Raghavachari, P. W. Deutsch, and J. A. Pople, J. Chem. Phys. 95, 2433 (1991).
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Randall, M.2
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85033286175
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note
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The MP2(FULL)/6-31G(d) geometries, zero-point energies, and thermal corrections for the G2-1 and G2-2 neutral test sets may be obtained via anonymous FTP from axp.cmt.anl.gov. The files are located in the directory g2testsets.
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36
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0003780688
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Chapman and Hall, New York
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Naylor, R.D.2
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36549094943
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The experimental sources for the atomization energies are listed in the papers on G1 theory: J. A. Pople, M. Head-Gordon, D. J. Fox, K. Raghavachari, and L. A. Curtiss, J. Chem. Phys. 90, 5622 (1989); L. A. Curtiss, C. Jones, G. W. Trucks, K. Raghavachari, and J. A. Pople, ibid. 93, 2537 (1990).
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Pople, J.A.1
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Curtiss, L.A.5
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39
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0000664876
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The experimental sources for the atomization energies are listed in the papers on G1 theory: J. A. Pople, M. Head-Gordon, D. J. Fox, K. Raghavachari, and L. A. Curtiss, J. Chem. Phys. 90, 5622 (1989); L. A. Curtiss, C. Jones, G. W. Trucks, K. Raghavachari, and J. A. Pople, ibid. 93, 2537 (1990).
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Curtiss, L.A.1
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Pople, J.A.5
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41
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85033315272
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In Ref. 1 this average absolute deviation was listed as 1.16 kcal/mol
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In Ref. 1 this average absolute deviation was listed as 1.16 kcal/mol.
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43
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36448999570
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L. A. Curtiss, M. P. McGrath, J.-P. Blaudeau, N. E. Davis, R. C. Binning, and L. Radom, J. Chem. Phys. 103, 6104 (1995).
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44
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85033317814
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note
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1/2)|.
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47
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0003878179
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Hemisphere, New York
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L. V. Gurvich, I. V. Veyts, and C. B. Alcock, Thermodynamic Properties of Individual Substances, 4th ed. (Hemisphere, New York, 1989), Vols. I-III.
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Alcock, C.B.3
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