Evaluation of the external reorganization energy of polyacenes
作者： David P. McMahon , Alessandro Troisi
DOI: 10.1021/JZ1001049
关键词: Force field (chemistry) 、 Computational chemistry 、 Polarizability 、 Rubrene 、 Anthracene 、 Molecular physics 、 Pentacene 、 Tetracene 、 Hamiltonian (quantum mechanics) 、 Chemistry 、 Organic electronics
摘要: The external reorganization energy for hole transport in naphthalene, anthracene, tetracene, pentacene, and rubrene is computed using a polarizable force field. The importance of this …
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