Premium
PhotochemCAD ‡: A Computer‐Aided Design and Research Tool in Photochemistry
Author(s) -
Du Hai,
Fuh RuChun Amy,
Li Junzhong,
Corkan L. Andrew,
Lindsey Jonathan S.
Publication year - 1998
Publication title -
photochemistry and photobiology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.818
H-Index - 131
eISSN - 1751-1097
pISSN - 0031-8655
DOI - 10.1111/j.1751-1097.1998.tb02480.x
Subject(s) - black body radiation , radiative transfer , absorption (acoustics) , fluorescence , radiator (engine cooling) , gaussian , spectral line , transition dipole moment , dipole , absorption spectroscopy , atomic physics , chemistry , photochemistry , physics , optics , computational chemistry , quantum mechanics , radiation
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.