Rational design of near-infrared absorbing organic dyes: Controlling the HOMO-LUMO gap using quantitative molecular orbital theory. - Ayush K. Narsaria; Jordi Poater; Célia Fonseca Guerra; Andreas W. Ehlers; Koop Lammertsma; Friedrich Matthias Bickelhaupt (J. Comput. Chem., 2018)

Performance of TDDFT Vertical Excitation Energies of Core-Substituted Naphthalene Diimides. - Ayush K. Narsaria; Julian D. Ruijter; Trevor A. Hamlin; Andreas W. Ehlers; Célia Fonseca Guerra; Koop Lammertsma; Friedrich Matthias Bickelhaupt (J. Comput. Chem., 2020)