Solvated Charge Transfer States of Functionalized...

Solvated Charge Transfer States of Functionalized Anthracene and Tetracyanoethylene Dimers: A Computational Study Based on a Range Separated Hybrid Functional and Charge Constrained Self-Consistent Field with Switching Gaussian Polarized Continuum Models

Zheng, Shaohui, Geva, Eitan, Dunietz, Barry D.
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Volume:
9
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct300700q
Date:
February, 2013
File:
PDF, 1.06 MB
english, 2013
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