Optimized Parameters for Scaling Correlation Energy
- 1 April 1999
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry A
- Vol. 103 (17) , 3139-3143
- https://doi.org/10.1021/jp9900382
Abstract
No abstract availableKeywords
This publication has 36 references indexed in Scilit:
- Molecular Modeling of Combustion Kinetics. The Abstraction of Primary and Secondary Hydrogens by Hydroxyl RadicalThe Journal of Physical Chemistry A, 1997
- Analysis of certain factors in the direct dynamics method: Variational rate constant of the NH3+OH→NH2+H2O reactionThe Journal of Chemical Physics, 1994
- Ab Initio Evaluation of the Barrier Height.Theoretical Rate Constant of the NH3 + H .fwdarw. NH2 + H2 ReactionThe Journal of Physical Chemistry, 1994
- Interpolated variational transition-state theory and semiclassical tunneling calculations of the rate constant of the reaction hydroxyl + ethane at 200-3000 KThe Journal of Physical Chemistry, 1994
- Theoretical study of intermediate complexes and the saddle point for ammonia + hydroxyl .fwdarw. amidogen + waterThe Journal of Physical Chemistry, 1993
- Interpolated variational transition state theory and tunneling calculations of the rate constant of the reaction OH+CH4 at 223–2400 KThe Journal of Chemical Physics, 1993
- Effect of hydration and dimerization of the formamidine rearrangementJournal of the American Chemical Society, 1991
- Transition state structure, barrier height, and vibrational frequencies for the reaction Cl+CH4→CH3+HClThe Journal of Chemical Physics, 1989
- Correlation balance in basis sets for electronic structure calculationsInternational Journal of Quantum Chemistry, 1987
- A full coupled-cluster singles and doubles model: The inclusion of disconnected triplesThe Journal of Chemical Physics, 1982