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JCC
2010
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13 years 10 months ago
Computational studies on electron and proton transfer in phenol-imidazole-base triads
: The electron and proton transfer in phenol-imidazole-base systems (base 5 NH2 2 or OH2 ) were investigated by density-functional theory calculations. In particular, the role of b...
Shihai Yan, Sunwoo Kang, Tomoyuki Hayashi, Shaul M...