NMR spectra, GIAO and charge density calculations of five‐membered aromatic heterocycles - Alan R. Katritzky; Güven, Alâattin; Novruz G. Akhmedov; Jacek Doskocz; Prabhu P. Mohapatra; C. Dennis Hall; Alâattin Güven (My University, 2007)
Keywords: Chemistry; Natural bond orbital; Basis set; Chemical shift; Density functional theory; Computational chemistry; Atomic orbital; Bond length; Carbon-13 NMR; Coupling constant; Molecular geometry; Crystallography; Physical chemistry; Molecule; Stereochemistry; Crystal structure; Electron; Organic chemistry; Physics