Yazar "Vural, H." için listeleme
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Combined experimental-theoretical characterization of chelidamate nickel complex with 4-methylpyrimidine
Vural, H.; Ucar, I.; Soylu, M. S. (PERGAMON-ELSEVIER SCIENCE LTD, 2016)A new chelidamate complex of nickel(II) ion, [Ni(chel)(H2O)(2)(mpd)]center dot 2H(2)O [chel: chelidamate or 4-hydroxypyridine-2,6-dicarboxylate, mpd: 4-methylpyrimidine] was synthesized and characterized by single-crystal ... -
Computational studies on structure and spectroscopic properties of 4-(Boc-amino) pyridine
Vural, H. (ELSEVIER SCIENCE BV, 2015)The molecular modeling of 4-(Boc-amino) pyridine was carried out using B3LYP, CAMB3LYP and PBE1PBE levels of density functional theory (DFT). The vibrational frequencies of the title molecule in the ground state were ... -
Experimental and computational study of the structure and spectroscopic properties of 1 ',3 '-Dihydrospiro[cyclohexane-1,2 '-[2H] imidazo[4,5-b]pyridine]
The optimized molecular geometry and vibrational frequencies of 1',3'-Dihydrospiro[cyclohexane-1,2'-[2H]imidazo[4,5-b]pyridine] were calculated using Hartree Fock (HF) and Density Functional Theory (DFT) methods. The ...
