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Raghavachari, K.3
Rassolov, V.4
Pople, J.A.5
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0000720136
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Computational Thermochemistry
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in: K.K. Irikura, D.J. Frurip (Eds.)
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J.M.L. Martin, in: K.K. Irikura, D.J. Frurip (Eds.), Computational Thermochemistry, ACS Symp. Ser. 677, 1998, 212-236.
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Martin, J.M.L.1
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W.J. Hehre, L. Radom, J.A. Pople, P. von, R. Schleyer, Ab Initio Molecular Orbital Theory, John Wiley, New York, 1987.
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(1987)
Ab Initio Molecular Orbital Theory
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Hehre, W.J.1
Radom, L.2
Pople, J.A.3
Von, P.4
Schleyer, R.5
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25
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0004133516
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Gaussian, Pittsburgh, PA
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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, J.A. Pople, Gaussian 94, Gaussian, Pittsburgh, PA, 1995.
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(1995)
Gaussian 94
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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.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.P.32
Head-Gordon, M.33
Gonzales, C.34
Pople, J.A.35
more..
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26
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0042805173
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The total energies of the molecules and a complete tabulation of deviations from experiment can be found at the website
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The total energies of the molecules and a complete tabulation of deviations from experiment can be found at the website http://chemistry.anl.gov/compmat/g3theory.htm.
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