Konu "Quantum chemical calculation" için listeleme
Toplam kayıt 3, listelenen: 1-3
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A combined theoretical and experimental study of chelidamate cadmium (II) complex, [Cd-2(dpa)(2)(chel)(2)]center dot 2[Cd(dpa)(chel)]center dot 6H(2)O
(PERGAMON-ELSEVIER SCIENCE LTD, 2015)A new chelidamate complex of Cd (II) ion, [Cd-2(dpa)(2)(chel)(2)]center dot 2[Cd(dpa)(chel)]center dot 6H(2)O [(chel: chelidamate or 4-hydroxypyridine-2,6-dicarboxylate, dpa: di (2-picolyl)amine)] was synthesized and ... -
An experimental and theoretical approach of spectroscopic and structural properties of a new chelidamate copper (II) complex
(PERGAMON-ELSEVIER SCIENCE LTD, 2014)The crystal structure of new chelidamate complex of copper (II) ion, [Cu(chel)H2O(pym)]center dot H2O [chel: chelidamate or 4-hydroxypyridine-2,6-dicarboxylate; pym: 2-Pyridylmethanol] has been determined by single crystal ... -
Spectroscopic, optical, DNA, antimicrobial and density functional theory studies of 5-Bromo-2-(trifluoromethyl)pyridine
(ELSEVIER GMBH, URBAN & FISCHER VERLAG, 2017)The spectroscopic characterization of 5-Bromo-2-(trifluoromethyl)pyridine was performed by the applying of Fourier Transform-Infrared (FT-IR) and H-1 and C-13 Nuclear Magnetic Resonance (NMR) spectroscopies. The optimized ...