Time-dependent density functional theory (TDDFT) modelling of Pechmann dyes: from accurate absorption maximum prediction to virtual dye screening†
Abstract
The red Pechmann
* Corresponding authors
a
Institute of Materials Research and Engineering, 3 Research Link, Singapore 117602
E-mail:
kantcheveab@imre.a-star.edu.sg
Fax: +65 6872 0785
Tel: +65 6874 1324
b Institute of High Performance Computing, 1 Fusionopolis Way #16–16, The Connexis, Singapore 138632
The red Pechmann
E. A. B. Kantchev, T. B. Norsten and M. B. Sullivan, Org. Biomol. Chem., 2012, 10, 6682 DOI: 10.1039/C2OB25806D
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