Improved Prediction of Heats of Formation of Energetic Materials Using Quantum Mechanical Calculations
Author:
Affiliation:
1. U.S. Army Research Laboratory, Aberdeen Proving Ground, Maryland 21005-5069
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp0536192
Reference34 articles.
1. Evaluation of solid-state formation enthalpies for energetic materials and related compounds
2. Calculation of heats of sublimation and solid phase heats of formation
3. Statistical analysis of the molecular surface electrostatic potential: an approach to describing noncovalent interactions in condensed phases
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