Assessment of DFT functionals for calculating intermolecular interaction of nitrogen-containing heterocyclic complexes
Author:
Funder
National Natural Science Foundation of China
Publisher
Springer Science and Business Media LLC
Subject
Physical and Theoretical Chemistry
Link
http://link.springer.com/article/10.1007/s00214-017-2154-3/fulltext.html
Reference46 articles.
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2. Kaur D, Khanna S (2011) Intermolecular hydrogen bonding interactions of furan, isoxazole and oxazole with water. Comput Theor Polym Sci 963(1):71–75. doi: 10.1016/j.comptc.2010.09.011
3. Zhao H, Jiang L, Dong H, Li H, Hu W, Ong BS (2009) Influence of intermolecular NH···π interactions on molecular packing and field-effect performance of organic semiconductors. Chem Phys Chem 10(13):2345–2348. doi: 10.1002/cphc.200900249
4. Szell PMJ, Gabriel SA, Gill RDD, Wan SYH, Gabidullin B, Bryce DL (2017) 13C and 19F solid-state NMR and X-ray crystallographic study of halogen-bonded frameworks featuring nitrogen-containing heterocycles. Acta Crystallogr Sect C Cryst Struct Commun 73(3):157–167. doi: 10.1107/s2053229616015023
5. Wang W, Hobza P (2008) Theoretical study on the complexes of benzene with isoelectronic nitrogen-containing heterocycles. ChemPhysChem 9(7):1003–1009. doi: 10.1002/cphc.200700587
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