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Rational design of near-infrared absorbing organic dyes: Controlling the HOMO-LUMO gap using quantitative molecular orbital theory., , , , , and . Journal of Computational Chemistry, 39 (32): 2690-2696 (2018)The homoleptic sandwich anion Co(P2C2tBu2)2- : a versatile building block for phosphaorganometallic chemistry, , , , , , , and . Angewandte Chemie. International edition, 47 (24): 4584-4587 (2008)Tris(pyrazolyl)phosphines with copper(I): from monomers to polymers, , , , , , , , and . Dalton transactions, 45 (5): 2237-2249 (2016)Substituent effects on the optical properties of naphthalenediimides: A frontier orbital analysis across the periodic table., , , , and . Journal of Computational Chemistry, 37 (2): 304-313 (2016)Protonation enthalpies in fluorosulfonic acid using ab initio self-consistent reaction field theory., , and . Journal of Computational Chemistry, 19 (2): 250-257 (1998)The homoleptic sandwich anion Co(P2C2tBu2)2-, , , , , , , and . Angewandte Chemie. International edition, 47 (24): 4584-4587 (2008)A quantitative analysis of light-driven charge transfer processes using voronoi partitioning of time dependent DFT-derived electron densities., , and . Journal of Computational Chemistry, 38 (20): 1811-1818 (2017)