Yazar "Mohapatra, Prabhu P." için listeleme
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NMR spectra, GIA and charge density calculations of five-membered aromatic heterocycles
Katritzky, Alan R.; Akhmedov, Novruz G.; Doskocz, Jacek; Mohapatra, Prabhu P.; Hall, C. Dennis; Güven, Alaattin (Wiley-Blackwell, 2007)The B3LYP/6-31+G(d) molecular geometry optimized structures of 17 five-membered heterocycles were employed together with the gauge including atomic orbitals (GIAO) density functional theory (DFT) method at the B3LYP/6-31+G(d,p), ...
