The C7H6 Potential Energy Surface Revisited: Relative Energies and IR Assignment
- 1 January 1996
- journal article
- Published by American Chemical Society (ACS) in Journal of the American Chemical Society
- Vol. 118 (6) , 1535-1542
- https://doi.org/10.1021/ja953579n
Abstract
No abstract availableThis publication has 62 references indexed in Scilit:
- Electronic and Vibrational Structure and Scaled Density Functional Force Field of Cyclopentadiene and Its Radical CationThe Journal of Physical Chemistry, 1995
- Methyl Substitution in Carbenes. A Theoretical Prediction of the Singlet-Triplet Energy Separation of DimethylcarbeneThe Journal of Physical Chemistry, 1995
- Identification of Isomers from Calculated Vibrational Spectra. A Density Functional Study of Tetrachlorinated DibenzodioxinsJournal of the American Chemical Society, 1995
- Coupled cluster theory for high spin, open shell reference wave functionsThe Journal of Chemical Physics, 1993
- The performance of a family of density functional methodsThe Journal of Chemical Physics, 1993
- Study of methane, acetylene, ethene, and benzene using Kohn-Sham theoryThe Journal of Physical Chemistry, 1993
- Approximate density functional theory as a practical tool in molecular energetics and dynamicsChemical Reviews, 1991
- Cycloheptatrienylidene singlet-triplet energetics: theory respondsJournal of the American Chemical Society, 1987
- Gas phase carbene reactionsAccounts of Chemical Research, 1974
- The Electron Paramagnetic Resonance of Phenylmethylene and Biphenylenemethylene; A Luminescent Reaction Associated With a Ground State Triplet MoleculeJournal of the American Chemical Society, 1962