PhotochemCAD++: A Computer-Aided Design and Research Tool in Photochemistry

Abstract

A database of absorption and fluorescence spectra, including molar absorption coefficients and fluorescence quantum yields, has been compiled for 125 photochemically relevant compounds. An accompanying program enables calculation of oscillator strengths, natural radiative lifetimes, transition dipole moments, Forster energy-transfer rates, multicomponent analysis, simulations of fluorescence spectra upon energy transfer among linear arrays of pigments, calculations of blackbody radiator curves at different temperatures and Lorentzian and Gaussian peak distributions. The program runs under Windows 95 and is equipped with extensive literature references and help features.