Author:
Politzer Peter,Murray Jane S.,Grice M. Edward
Abstract
AbstractA recently-developed density functional procedure for computing gas phase heats of formation is briefly described and results for several categories of energetic compounds are summarized and discussed. Liquid and solid phase values can be obtained by combining the gas phase data with heats of vaporization and sublimation estimated by means of other relationships. Some observed functional group effects upon heats of formation are noted.
Publisher
Springer Science and Business Media LLC
Reference46 articles.
1. 31 Gunasekaran A. , private communication.
2. 8 Grice M. E. and Politzer P. , J. Mol. Struct., in press.
3. 36 Schmitt R. and Bottaro J. , SRI International, private communication.
4. Calculated structures and heats of formation of some predicted C, N, O, F molecules
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