Can the roles of polar and non-polar moieties be reversed in non-polar solvents?
نویسندگان
چکیده
منابع مشابه
QM/MM non-adiabatic decay dynamics of formamide in polar and non-polar solvents.
Non-adiabatic on-the-fly dynamics simulations of the photodynamics of formamide in water and n-hexane were performed using a QM/MM approach. It was shown that steric restrictions imposed by the solvent cage do not have an influence on the initial motion which leads to the lowest energy conical intersection seam. The initial deactivation in water is faster than in n-hexane and in the gas phase. ...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2020
ISSN: 1463-9076,1463-9084
DOI: 10.1039/d0cp02948c