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7
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0037073224
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Denis P.A., Kieninger M., Ventura O.N., Cachau R.E., and Diercksen G.H.F. Chem. Phys. Lett. 365 (2002) 440
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Denis, P.A.1
Kieninger, M.2
Ventura, O.N.3
Cachau, R.E.4
Diercksen, G.H.F.5
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9
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35948996578
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Mansergas A., Anglada J.M., Olivella S., Ruiz-López M.F., and Martins-Costa M. Phys. Chem. Chem. Phys. 9 (2007) 5865
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(2007)
Phys. Chem. Chem. Phys.
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Mansergas, A.1
Anglada, J.M.2
Olivella, S.3
Ruiz-López, M.F.4
Martins-Costa, M.5
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11
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43049147203
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*H) = 89.0°.
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e structures. Fitting a set of rigid rotor constants by the two procedures would, of course, give identical results.
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12
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33746832843
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Heckert M., Kállay M., Tew D.P., Klopper W., and Gauss J. J. Chem. Phys. 125 (2006) 044108
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(2006)
J. Chem. Phys.
, vol.125
, pp. 044108
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Heckert, M.1
Kállay, M.2
Tew, D.P.3
Klopper, W.4
Gauss, J.5
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16
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43049105496
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ACES II Mainz-Austin-Budapest-version 2006, a package of ab initio programs. J.F. Stanton, J. Gauss, J.D. Watts, P.G. Szalay, R.J. Bartlett, A.A. Auer, D.E. Bernholdt, O. Christiansen, M.E. Harding, M. Heckert, O. Heun, C. Huber, D. Jonsson, J. Jusélius, W.J. Lauderdale, T. Metzroth, C. Michauk, D.R. Price, K. Ruud, F. Schiffmann, A. Tajti, M.E. Varner, J. Vázquez; the integral packages: MOLECULE (J. Almlöf and P.R. Taylor); PROPS (P.R. Taylor); ABACUS (T. Helgaker, H.J. Aa. Jensen, P. Jørgensen, and J. Olsen). For current version, see .
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ACES II Mainz-Austin-Budapest-version 2006, a package of ab initio programs. J.F. Stanton, J. Gauss, J.D. Watts, P.G. Szalay, R.J. Bartlett, A.A. Auer, D.E. Bernholdt, O. Christiansen, M.E. Harding, M. Heckert, O. Heun, C. Huber, D. Jonsson, J. Jusélius, W.J. Lauderdale, T. Metzroth, C. Michauk, D.R. Price, K. Ruud, F. Schiffmann, A. Tajti, M.E. Varner, J. Vázquez; the integral packages: MOLECULE (J. Almlöf and P.R. Taylor); PROPS (P.R. Taylor); ABACUS (T. Helgaker, H.J. Aa. Jensen, P. Jørgensen, and J. Olsen). For current version, see .
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33748497962
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J. Almlöf, P.R. Taylor, J. Chem. Phys. 86 (1987) 4070, or .
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J. Almlöf, P.R. Taylor, J. Chem. Phys. 86 (1987) 4070, or .
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20
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43049106928
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note
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-1) points to the potential impropriety of using VPT2 in this fashion, and only serves to underscore the presence of large-amplitude motion in this molecule.
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21
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43049098339
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J. Vazquez, J. Gauss, J.F. Stanton, unpublished research.
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J. Vazquez, J. Gauss, J.F. Stanton, unpublished research.
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