Atom equivalents for relating ab initio energies to enthalpies of formation
- 1 June 1985
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 6 (3) , 157-167
- https://doi.org/10.1002/jcc.540060302
Abstract
No abstract availableKeywords
This publication has 11 references indexed in Scilit:
- Group equivalents for converting ab initio energies to enthalpies of formationJournal of Computational Chemistry, 1984
- Hydrocarbon Bond Dissociation EnergiesAnnual Review of Physical Chemistry, 1982
- Quantum chemistry literature data base — Bibliography of ab initio calculations for 1981Journal of Molecular Structure, 1982
- Self-consistent molecular orbital methods. 21. Small split-valence basis sets for first-row elementsJournal of the American Chemical Society, 1980
- Ab initio molecular orbital theoryAccounts of Chemical Research, 1976
- Møller–Plesset theory for atomic ground state energiesInternational Journal of Quantum Chemistry, 1975
- The influence of polarization functions on molecular orbital hydrogenation energiesTheoretical Chemistry Accounts, 1973
- The effect of d-functions on molecular orbital energies for hydrocarbonsChemical Physics Letters, 1972
- Molecular orbital theory of the electronic structure of organic compounds. V. Molecular theory of bond separationJournal of the American Chemical Society, 1970
- Evaluation of strain in hydrocarbons. The strain in adamantane and its originJournal of the American Chemical Society, 1970