Molecular structure elucidation and hydrogen bonding analysis of a pyrazolone derivative
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چکیده
منابع مشابه
a phonological contrastive analysis of kurdish and english
deposite the different criticisms on contrastive analysis it has been proved that the results of it(when processed)can be usuful in a tefl environment,specially at the level of phonology.this study is an attempt to compare and contrast the sound systems of kurdish and english for pedagogical aims. the consonants,vowels,stress and intonation of the twolanguages are described by the same model-ta...
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Pyrazoline and its derivatives often exhibit strong emissions in dilute solutions, but their emission intensity is often dramatically reduced in the solid state due to strong intermolecular interactions between neighboring molecules. In this report, we successfully synthesized a new pyrazoline 4-(3-(4-(decyloxy)phenyl)-1-(2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl)-4,5-dihydro-1H-pyrazol-5-y...
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We have carried out extensive computational analyses of the structure and bonding mechanism in trihalides DX⋅⋅⋅A(-) and the analogous hydrogen-bonded complexes DH⋅⋅⋅A(-) (D, X, A=F, Cl, Br, I) using relativistic density functional theory (DFT) at zeroth-order regular approximation ZORA-BP86/TZ2P. One purpose was to obtain a set of consistent data from which reliable trends in structure and stab...
متن کاملStructure and Hydrogen Bonding of Solid N
Crystalline N-alkyl-N-arylthioureas with ortho hydroxyl and para or meta methyl substituents to the phenyl ring were studied by single crystal X-ray diffraction, IR and solid state C CP MAS NMR. Two different modes of association were found: i) intermolecular NH...S bonds and NH not involved in hydrogen bonding in N-methyl-N(2-hydroxy,5-methylphenyl)thiourea 1, ii) cyclic dimers with two NH...S...
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ژورنال
عنوان ژورنال: Journal of Applied and Natural Science
سال: 2011
ISSN: 2231-5209,0974-9411
DOI: 10.31018/jans.v3i1.160