Ab initio MO and quasi-classical direct ab initio MD studies on the nitrogen inversion of trimethylamine
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چکیده
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AB INITIO QUANTUM CHEMICAL STUDIES IN CTAB
Quaternary ammonium compounds (QACS) are employed both as disinfectants for manual processing lines and surfaces in the food industry, and in human medicine area. QACS also cause cell death by protein denaturation . One of the QAC is cetyl trimethyl ammonium bromide (CTAB) that appears to rapture the cell membrane. The primary site of action of CTAB has been suggested to be the lipid components...
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ژورنال
عنوان ژورنال: Chemical Physics Letters
سال: 2006
ISSN: 0009-2614
DOI: 10.1016/j.cplett.2005.10.014