An ab initio study on the equilibrium structure and torsional potential energy function of carbodiimide
- 1 October 1998
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 295 (5-6) , 462-466
- https://doi.org/10.1016/s0009-2614(98)00976-2
Abstract
No abstract availableKeywords
This publication has 17 references indexed in Scilit:
- A fifth-order perturbation comparison of electron correlation theoriesPublished by Elsevier ,2001
- The rQ1 branch of carbodiimide, HNCNH, at 1.1 THzChemical Physics, 1997
- An ab initio study on the equilibrium structure and torsional potential energy function of disulfaneChemical Physics Letters, 1996
- An ab initio study on the equilibrium structure and torsional potential energy function of hydrogen peroxideChemical Physics Letters, 1995
- A comparison of the efficiency and accuracy of the quadratic configuration interaction (QCISD), coupled cluster (CCSD), and Brueckner coupled cluster (BCCD) methodsChemical Physics Letters, 1992
- Comparison of coupled-cluster methods which include the effects of connected triple excitationsThe Journal of Chemical Physics, 1990
- Molecular structure and spectroscopic properties of carbodiimide (HNCNH)Chemical Physics, 1988
- The unusual torsion–inversion dynamics of carbodi-imide, HNCNHJournal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics, 1988
- The rotation-vibration spectrum of gaseous carbodiimide (HNCNH)Chemical Physics Letters, 1986
- A full coupled-cluster singles and doubles model: The inclusion of disconnected triplesThe Journal of Chemical Physics, 1982