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首页> 外文期刊>The Journal of Chemical Physics >Probability current in protein electron transfer reactions:A Green function pathway model
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Probability current in protein electron transfer reactions:A Green function pathway model

机译:蛋白质电子转移反应中的概率电流:格林函数路径模型

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摘要

In a biological electron transfer reaction problem we have found distinct electron probability current representations of macromolecular currents,amino acid and interamino acid currents,atomic and interatomic currents.We present a general interatomic current approach to obtain the electron probability current from donor to acceptor sites,and vice versa.Symmetric(or antisymmetric)renormalizable interatomic currents provide exact(or approximate)effective tunneling matrix element between donor and acceptor states.The electron probability currents allow us to investigate stationary tunneling pathways through protein bridge medium,from molecular to subatomic resolution at any level of electronic description of the biological structure.Analytical comparison among interatomic pathway models is presented and we found equivalent interatomic current representations with distinct dependence on the tunneling energy from the weak to strong coupling between protein bridge and the donor/acceptor sites.
机译:在生物电子转移反应问题中,我们发现了大分子电流,氨基酸和氨基酸间电流,原子和原子间电流的不同电子概率电流表示形式。我们提出了一种一般的原子间电流方法来获得从供体到受体位点的电子概率电流,反之亦然。对称的(或反对称的)可重整化的原子间电流在供体和受体之间提供了精确的(或近似的)有效隧穿矩阵元素。电子概率电流使我们能够研究通过蛋白质桥介质从分子到亚原子分辨率的固定隧穿途径进行了原子间通路模型之间的分析比较,我们发现等效的原子间电流表示形式与蛋白质桥和供体/受体位点之间从弱耦合到强耦合的隧穿能量有明显的依赖性。 s。

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