Investigation of H-bonding and halogen-bonding effects in dichloroacetic acid: DFT calculations of NQR parameters and QTAIM analysis
Author:
Publisher
Springer Science and Business Media LLC
Subject
Computational Theory and Mathematics,Inorganic Chemistry,Organic Chemistry,Physical and Theoretical Chemistry,Computer Science Applications,Catalysis
Link
http://link.springer.com/content/pdf/10.1007/s00894-012-1496-y.pdf
Reference65 articles.
1. Woo HK, Wang XB, Wang LS, Lu KC (2005) Probing the low-barrier hydrogen bond in hydrogen maleate in the gas phase: a photoelectron spectroscopy and ab initio study. J Phys Chem A 109:10633–10637
2. Hobza P, Havlas Z (2000) Blue-shifting hydrogen bonds. Chem Rev 100:4253–4264
3. Murray JS, Concha MC, Lane P, Hobza P, Politzer P (2008) Blue shifts vs red shifts in σ-hole bonding. J Mol Model 14:699–704
4. Scheiner S (1997) Hydrogen bonding: a theoretical prospective. Oxford University Press, Oxford UK
5. Behzadi H, Esrafili M, Hadipour NL (2007) A theoretical study of 17O, 14N and 2H nuclear quadrupole coupling tensors in the real crystalline structure of acetaminophen. Chem Phys 333:97–103
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