DFT-D=dispersion-corrected density functional theory; QTAIM=quantum theory of atoms in molecules.
Hydrogen-Bonding Interactions and Properties of Energetic Nitroamino[1,3,5]triazine-Based Guanidinium Salts: DFT-D and QTAIM Studies†
Article first published online: 3 SEP 2012
Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Chemistry – An Asian Journal
Volume 7, Issue 11, pages 2577–2591, November 2012
How to Cite
Wang, F., Du, H., Liu, H. and Gong, X. (2012), Hydrogen-Bonding Interactions and Properties of Energetic Nitroamino[1,3,5]triazine-Based Guanidinium Salts: DFT-D and QTAIM Studies. Chem. Asian J., 7: 2577–2591. doi: 10.1002/asia.201200450
- Issue published online: 10 OCT 2012
- Article first published online: 3 SEP 2012
- Manuscript Revised: 2 JUL 2012
- Manuscript Received: 22 MAY 2012
- National Natural Science Foundation of China
- China Academy of Engineering Physics. Grant Number: 11076017
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