2005
DOI: 10.1007/s00214-005-0690-8
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On the equilibrium structures and the IR active bending vibrations of linear C13 and C15: results of large-scale coupled cluster calculations

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Cited by 8 publications
(10 citation statements)
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“…In particular, the CCSD(T)/vtz values for the harmonic wavenumbers of the antisymmetric stretching vibrations of σ u symmetry differ from their CCSD(T)/vqz counterparts by no more than 10.3 cm -1 . Likewise, the absolute IR intensities from the “standard level” of the present work (CCSD(T) with vtz basis for force field and “small” basis for dipole moment derivatives) are in very good agreement with the author's previous values from more extensive calculations. , For example, the difference in the intensity of the strongest vibration of linear C 13 (ν 9 ) amounts to only 1.9%.…”
Section: Resultssupporting
confidence: 88%
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“…In particular, the CCSD(T)/vtz values for the harmonic wavenumbers of the antisymmetric stretching vibrations of σ u symmetry differ from their CCSD(T)/vqz counterparts by no more than 10.3 cm -1 . Likewise, the absolute IR intensities from the “standard level” of the present work (CCSD(T) with vtz basis for force field and “small” basis for dipole moment derivatives) are in very good agreement with the author's previous values from more extensive calculations. , For example, the difference in the intensity of the strongest vibration of linear C 13 (ν 9 ) amounts to only 1.9%.…”
Section: Resultssupporting
confidence: 88%
“…Likewise, the absolute IR intensities from the “standard level” of the present work (CCSD(T) with vtz basis for force field and “small” basis for dipole moment derivatives) are in very good agreement with the author's previous values from more extensive calculations. , For example, the difference in the intensity of the strongest vibration of linear C 13 (ν 9 ) amounts to only 1.9%.…”
Section: Resultssupporting
confidence: 88%
See 3 more Smart Citations