Abstract
Long-range electron transfer (ET) across peptide chains with different secondary structures in pa–(gly) n=0–6 –aa (pa = C 6H 4(CO) 2N–(CH 2CO), gly = glycine, aa = HNCH 2COOCH 3) ionic molecules has been explored by computational studies of ET matrix element, reorganization energy and rate constant using two-state variational method (TSVM) and classical rate model. For comparison, electron correlation effects are examined in the studies. Calculated results are then used to elucidate ET reaction mechanisms.
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