Group equivalents for converting ab initio energies to enthalpies of formation
- 1 April 1984
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 5 (2) , 197-199
- https://doi.org/10.1002/jcc.540050212
Abstract
No abstract availableKeywords
This publication has 10 references indexed in Scilit:
- Thermochemical Data of Pure SubstancesPublished by Wiley ,1995
- Strain energies of small ring propellanesJournal of the American Chemical Society, 1983
- Strain Energies of Small Ring AlkenesIsrael Journal of Chemistry, 1983
- Enthalpies of formation of fused cyclobutane derivativesJournal of the American Chemical Society, 1982
- Ab initiostudies of structural features not easily amenable to experiment. 17. The molecular structures of some strained cyclic hydrocarbons and estimates of their strain energiesJournal of Computational Chemistry, 1982
- A b i n i t i o studies of structural features not easily amenable to experiment. 12. The molecular structure of bicyclo(2.1.0)pentane and the usefulness of a b i n i t i o geometries in interpreting microwave r s-structure model uncertaintiesThe Journal of Chemical Physics, 1981
- Hydrierwärmen, II. Hydrierwärme des Bicyclo[2.1.0]pent‐2‐ens, ein antiaromatisches SystemEuropean Journal of Inorganic Chemistry, 1980
- Ground states of molecules. 39. MNDO results for molecules containing hydrogen, carbon, nitrogen, and oxygenJournal of the American Chemical Society, 1977
- Comparison of various isodesmic and homodesmotic reaction heats with values derived from published ab initio molecular orbital calculationsJournal of the Chemical Society, Perkin Transactions 2, 1977
- Prediction of Heat and Free Energies of Organic CompoundsIndustrial & Engineering Chemistry, 1949