Molecular Structure of Phenytoin: NMR, UV-Vis and Quantum Chemical Calculations
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چکیده
منابع مشابه
Molecular Structure of Phenytoin: NMR, UV-Vis and Quantum Chemical Calculations
Due to the presence of the carbonyl and imide groups in the structure of 5,5-diphenylhydantoin (DPH), the possibility for this com-pound to be involved in hydrogen bonding intermolecular interactions is obvious. Even though such interactions are presumably responsiblefor the mechanism of action of this drug, however, to the best of our knowledge, the self-hydrogen bonding interactions b...
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in the present work, the quantum theoretical calculations of the molecular structure of the 1-(1, 3-benzothiazol-2-yl)-3-(thiophene-5-carbonyl) thiourea has been predicted and are evaluated using density functional theory (dft) in gas phase. the geometry of the title compound was optimized by b3lyp/6-311+g and b3lyp/6-311+g* methods and the experimental geometrical parameters of the title compo...
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ژورنال
عنوان ژورنال: Croatica Chemica Acta
سال: 2015
ISSN: 0011-1643,1334-417X
DOI: 10.5562/cca2767