Calculated Vibrational Properties of Ubisemiquinones
نویسندگان
چکیده
منابع مشابه
Calculated Vibrational Properties of Ubisemiquinones
Density functional theory has been used to calculate harmonic normal mode vibrational frequencies for unlabeled and isotope-labeled ubisemiquinones in both the gas phase and in several solvents. It is shown that four methoxy group conformations are likely to be present in solution at room temperature. Boltzmann weighted infrared and Raman spectra for the four conformers were calculated, and com...
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ژورنال
عنوان ژورنال: Computational Biology Journal
سال: 2013
ISSN: 2314-4165,2314-4173
DOI: 10.1155/2013/807592