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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. 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. Gonzalez and J. A. Pople, GAUSSIAN 98, REVISION A.1, Gaussian, Inc., Pittsburgh PA, 1998.
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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
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85034375431
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MOLPRO is a package of ab initio programs written by, with contributions from
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MOLPRO is a package of ab initio programs written by H.-J. Werner and P. J. Knowles, with contributions from J. Almlöf, R. D. Amos, A. Berning, D. L. Cooper, M. J. O. Deegan, A. J. Dobbyn, F. Eckert, S. T. Elbert, C. Hampel, R. Lindh, A. W. Lloyd, W. Meyer, A. Nicklass, K. Peterson, R. Pitzer, A. J. Stone, P. R. Taylor, M. E. Mura, P. Pulay, M. Schütz, H. Stoll and T. Thorsteinsson.
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Cooper, D.L.6
Deegan, M.J.O.7
Dobbyn, A.J.8
Eckert, F.9
Elbert, S.T.10
Hampel, C.11
Lindh, R.12
Lloyd, A.W.13
Meyer, W.14
Nicklass, A.15
Peterson, K.16
Pitzer, R.17
Stone, A.J.18
Taylor, P.R.19
Mura, M.E.20
Pulay, P.21
Schütz, M.22
Stoll, H.23
Thorsteinsson, T.24
more..
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35
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0003596337
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S. J. Klippenstein, A. F. Wagner, R. C. Dunbar, D. M. Wardlaw and S. H. Robertson, VARIFLEX: VERSION 1.00, 1999.
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Klippenstein, S.J.1
Wagner, A.F.2
Dunbar, R.C.3
Wardlaw, D.M.4
Robertson, S.H.5
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46
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0003980212
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SANDIA Report 87-8215 UC4, Sandia National Laboratories, Livermore, CA
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R. J. Lee, F. M. Ripley and J. A. Miller, Chemkin Thermodynamic Data Base. SANDIA Report 87-8215 UC4, Sandia National Laboratories, Livermore, CA, 1987.
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Chemkin Thermodynamic Data Base
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Lee, R.J.1
Ripley, F.M.2
Miller, J.A.3
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52
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0005675545
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Some details of the algorithm are described in
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Some details of the algorithm are described in K. Dunn and K. Morokuma, J. Chem. Phys., 1995, 102, 4904.
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J. Chem. Phys.
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Dunn, K.1
Morokuma, K.2
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53
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85034363599
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Ph.D. Thesis, Emory University, Atlanta, The program uses the HONDO 8.4 package by M. Dupuis
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Q. Cui, Ph.D. Thesis, Emory University, Atlanta, 1998. The program uses the HONDO 8.4 package by M. Dupuis.
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(1998)
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Cui, Q.1
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