Subject
Inorganic Chemistry,Organic Chemistry,Spectroscopy,Analytical Chemistry
Reference71 articles.
1. The spectroscopic (FT-IR, FT-Raman), MESP, first order hyperpolarizability, NBO analysis, HOMO and LUMO analysis of 1,5-dimethyl napthalene by density functional method;Arivazhagan;Spectrochim. Acta - Part A Mol. Biomol. Spectrosc.,2014
2. Molecular structure of 2-chloromethyl-1H-benzimidazole hydrochloride: single crystal, spectral, biological studies, and DFT calculations;Abdel Ghani;Spectrochim. Acta - Part A Mol. Biomol. Spectrosc.,2012
3. Amine superbases stabilized by extended hydrogen bond networks;Bachrach;J. Org. Chem.,2013
4. Gaussian 09, Revision A. 1;Frisch,2009
5. NBO Version3.1;Glendening,1998
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