Heats of formation of organic molecules by ab initio calculations. Aldehydes and ketones
- 1 May 1992
- journal article
- research article
- Published by Wiley in Journal of Physical Organic Chemistry
- Vol. 5 (5) , 225-229
- https://doi.org/10.1002/poc.610050502
Abstract
No abstract availableKeywords
This publication has 11 references indexed in Scilit:
- Molecular mechanics (MM3) calculations on aldehydes and ketonesJournal of the American Chemical Society, 1991
- Substituent effects. 2. n-Butyl and tert-butyl derivativesThe Journal of Organic Chemistry, 1991
- Heats of formation of organic molecules by ab initio calculations. 1. Aliphatic aminesJournal of Physical Organic Chemistry, 1990
- The syn rotational barrier in butaneJournal of the American Chemical Society, 1990
- Thermochemical Data of Organic CompoundsPublished by Springer Nature ,1986
- Structures and energies of the tricyclo[4.1.0.01,3]heptanes and the tetracyclo[4.2.1.02,905,9]nonanes. Extended group equivalents for converting ab initio energies to heats of formationThe Journal of Organic Chemistry, 1985
- Atom equivalents for relating ab initio energies to enthalpies of formationJournal of Computational Chemistry, 1985
- Group equivalents for converting ab initio energies to enthalpies of formationJournal of Computational Chemistry, 1984
- The influence of polarization functions on molecular orbital hydrogenation energiesTheoretical Chemistry Accounts, 1973
- Self—Consistent Molecular Orbital Methods. XII. Further Extensions of Gaussian—Type Basis Sets for Use in Molecular Orbital Studies of Organic MoleculesThe Journal of Chemical Physics, 1972