Effect of intermolecular orientation upon proton transfer within a polarizable medium
نویسندگان
چکیده
منابع مشابه
Intermolecular proton transfer in anionic complexes of uracil with alcohols.
A series of 18 alcohols (ROH) has been designed with an enthalpy of deprotonation in the gas phase (H(DP)) in the range 13.8-16.3 eV. The effects of excess electron attachment to the binary alcohol-uracil (ROH...U) complexes have been studied at the density functional level with a B3LYP exchange-correlation functional and at the second-order Møller-Plesset perturbation theory level. The photoel...
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ژورنال
عنوان ژورنال: Biophysical Journal
سال: 1991
ISSN: 0006-3495
DOI: 10.1016/s0006-3495(91)82121-x