Predicted Heats of Formation of DNAF in Gaseous, Liquid and Solid Phases.
NEW ORLEANS UNIV LA DEPT OF CHEMISTRY
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One of the compounds for which we have recently computed the gas phase heats of formation, delta H sub f gaseous, is DNAF, 1 1. This was done using our density functional procedure 2. In response to interest expressed by the Air Force Armament Laboratory Eglin AFB, we have now estimated the liquid and solid phase heats of formation of 1. For this purpose, we needed the heats of vaporization, delta H sub vap, and sublimation, delta H sub sub, which we obtained using general correlations between these properties and computed quantities related to electrostatic potentials on molecular surfaces 3. jg p3
- Inorganic Chemistry
- Physical Chemistry
- Atomic and Molecular Physics and Spectroscopy
- Quantum Theory and Relativity