An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor–Acceptor Dye Assisted by Resonance Raman Spectroscopy

出版年份 2012 全文链接

标题

An Assessment of RASSCF and TDDFT Energies and Gradients on an Organic Donor–Acceptor Dye Assisted by Resonance Raman Spectroscopy

作者

关键词

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出版物

Journal of Chemical Theory and Computation

Volume 9, Issue 1, Pages 543-554

出版商

American Chemical Society (ACS)

发表日期

2012-11-27

DOI

10.1021/ct3009057

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