The geometry, vibrational frequencies, and total atomization energy of ethylene. A calibration study
- 19 January 1996
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 248 (5-6) , 336-344
- https://doi.org/10.1016/0009-2614(95)01353-9
Abstract
No abstract availableKeywords
This publication has 31 references indexed in Scilit:
- The anharmonic force field of ethylene, C2H4, by means of accurate ab initio calculationsThe Journal of Chemical Physics, 1995
- Intrinsic Errors in Several ab Initio Methods: The Dissociation Energy of N2The Journal of Physical Chemistry, 1995
- Beyond thex-Krelations. Calculations of 1 - 1 and 2 - 2 resonance constants with applications to HCN and DCNMolecular Physics, 1992
- Comparison of coupled-cluster methods which include the effects of connected triple excitationsThe Journal of Chemical Physics, 1990
- Comparison of the quadratic configuration interaction and coupled-cluster approaches to electron correlation including the effect of triple excitationsThe Journal of Physical Chemistry, 1990
- Beyond the x-K relationsMolecular Physics, 1989
- Theoretical investigation of the normal-mode vibrational frequencies and intensities of ethyleneThe Journal of Physical Chemistry, 1988
- A full coupled-cluster singles and doubles model: The inclusion of disconnected triplesThe Journal of Chemical Physics, 1982
- Raman spectra of asymmetric top moleculesMolecular Physics, 1977
- The ground-state average and equilibrium structures of formaldehyde and ethyleneMolecular Physics, 1974