First-Principles Lattice Energy Calculation of Urea and...

Journal of Physical Chemistry B 2010 / 05 Vol. 114; Iss. 20

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

Tsuzuki, Seiji, Orita, Hideo, Honda, Kazumasa, Mikami, Masuhiro
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Volume:
114
Language:
english
Journal:
The Journal of Physical Chemistry B
DOI:
10.1021/jp912028q
Date:
May, 2010
File:
PDF, 1.58 MB
english, 2010
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