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A purely ab initio spectroscopic quality quartic force field for acetylene.
- Source :
-
Journal of Chemical Physics . 1/8/1998, Vol. 108 Issue 2, p676. 16p. 9 Charts. - Publication Year :
- 1998
-
Abstract
- Assesses the spectroscopic quality of quartic force field for acetylene. Details on coupled cluster with all single and double substitutions and quasiperturbative inclusion of connected Triple excitations method; Bending modes of carbon-carbon multiple bonds; Computations on quartic force field and harmonic frequencies.
- Subjects :
- *QUARTIC fields
*ACETYLENE
*SPECTRUM analysis
*SCISSION (Chemistry)
Subjects
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 108
- Issue :
- 2
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 4132829
- Full Text :
- https://doi.org/10.1063/1.475429