Rational Design of Near-Infrared Absorbing Organic Dyes: Controlling the HOMO–LUMO Gap using Quantitative MO Theory

Author(s):
Narsaria, A.K.; Poater, J.; Fonseca Guerra, C. (0000-0002-2973-5321); Ehlers, A.W.; Lammertsma, K.; Bickelhaupt, F.M.
Published
2018
Publication type
Article / Letter to editor
Date issued
2018
Language
English
Is part of
Journal of Computational Chemistry (2018), Vol. 39, no. 32, p. 2690-2696
hdl
1887/67614
doi
10.1002/jcc.25731