Now showing items 1-10 of 23
Experimental, Ab İnitio And Density Functional Theory Studies On Sulfadiazine
(Elsevier Science Bv, Po Box 211, 1000 Ae Amsterdam, Netherlands, 2009-04-30)
In the present study, combined experimental and computational study on molecular vibrations of free sulfadiazine has been reported. The theoretically possible stable conformers of free sulfadiazine molecule in electronically ...
FTIR investigation of the O H Xe interaction in simple carboxylic acids in solid xenon
The O–H stretching region of the infrared spectra of a series of carboxylic acids in Xe matrices was investigated as a function of temperature. Upon increasing the temperature, the νO–H band site-components undergo reversible ...
5-Methylhydantoin: From isolated molecules in a low-temperature Aaon matrix to solid state polymorphs characterization
The molecular structure, vibrational spectra and photochemistry of 5-methylhydantoin (C4H6N2O2; 5-MH) were studied by matrix isolation infrared spectroscopy and theoretical calculations at the DFT(B3LYP)/6-311++G(d,p) ...
Thiabendazole and Thiabendazole-Formic Acid Solvate: A Computational, Crystallographic, Spectroscopic and Thermal Study
Thiabendazole (TBZ) is a substance which has been receiving multiple important applications in several domains, from medicine and pharmaceutical sciences, to agriculture and food industry. Here, a comprehensive multi-technique ...
The crystal structure and Raman spectrum of the sodium salt of 5-Acetic acid hydantoin
The sodium salt of 5-acetic acid hydantoin (5AAH) was synthesized, and its crystal structure determined by single crystal X-ray diffraction. The material was found to exhibit rather unusual structural features. Firstly, ...
Molecular spectroscopy and molecular structure - Selected communications presented at the 1st International Turkish Congress on Molecular Spectroscopy (TURCMOS 2013) Preface
(Pergamon-Elsevier Science Ltd, The Boulevard, Langford Lane, Kidlington, Oxford Ox5 1Gb, England, 2016-01-05)
The Saricicek howardite fall in Turkey: Source crater of HED meteorites on Vesta and impact risk of Vestoids
The Saricicek howardite meteorite shower consisting of 343 documented stones occurred on September 2, 2015 in Turkey and is the first documented howardite fall. Cosmogenic isotopes show that Saricicek experienced a complex ...
Structure, spectroscopic properties and catalytic activity for epoxide ring-opening of nickel methylxanthate
The structure and spectroscopic properties of nickel methylxanthate, Ni(S2COCH3)2, as isolated molecule and in crystalline phase, were investigated both experimentally and theoretically. Experimentally, single crystal X-ray ...