Mechanism of proton-coupled electron transfer described with QM/MM implementation of coupled-perturbed density-functional tight-binding

Denis Maag, Josua Böser, Henryk A. Witek, Ben Hourahine, Marcus Elstner, Tomáš Kubař*

*此作品的通信作者

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3 引文 斯高帕斯(Scopus)

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Keyphrases

Biochemistry, Genetics and Molecular Biology

Chemistry