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85037297119
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note
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o values because its HLC parameters have been derived to give the best agreement with experiment for enthalpies of formation. The HLC takes into account not only deficiencies in the total energies, but also deficiencies in other quantities such as zero-point energies.
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11
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0001163428
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12
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85037296512
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(11) Kedziora, G. S.; Pople, J. A.; Rassolov, V.; Ratner, M. A.; Redfern, P. C.; Curtiss, L. A., submitted.
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13
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0001213712
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1142296589
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15
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85037296546
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See ref 2 for details on the procedure used to calculate enthalpies of formation of molecules
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See ref 2 for details on the procedure used to calculate enthalpies of formation of molecules.
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16
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85037318522
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5 have also revised some of the experimental values with slightly different values. This has little overall effect on the results
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5 have also revised some of the experimental values with slightly different values. This has little overall effect on the results.
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18
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0002487812
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Montgomery, J. A., Jr.; Frisch, M. J.; Ochterski, J. W.; Petersson, G. A. J. Chem. Phys. 1999, 110, 1.
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