First-Principles Lattice Energy Calculation of Urea and Hexamine Crystals by a Combination of Periodic DFT and MP2 Two-Body Interaction Energy Calculations

Title
First-Principles Lattice Energy Calculation of Urea and Hexamine Crystals by a Combination of Periodic DFT and MP2 Two-Body Interaction Energy Calculations
Authors
Keywords
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Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 114, Issue 20, Pages 6799-6805
Publisher
American Chemical Society (ACS)
Online
2010-05-05
DOI
10.1021/jp912028q

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