Ayush K. Narsaria, Jordi Poater, Célia Fonseca Guerra, Andreas W. Ehlers, Koop Lammertsma, F. Matthias Bickelhaupt. Rational design of near-infrared absorbing organic dyes: Controlling the HOMO-LUMO gap using quantitative molecular orbital theory. Journal of Computational Chemistry, 39(32):2690-2696, 2018. [doi]
Abstract is missing.