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

  1. Hai Du,
  2. Ru-Chun Amy Fuh,
  3. Junzhong Li,
  4. L. Andrew Corkan,
  5. Jonathan S. Lindsey*

Article first published online: 2 JAN 2008

DOI: 10.1111/j.1751-1097.1998.tb02480.x

Issue

Photochemistry and Photobiology

Photochemistry and Photobiology

Volume 68, Issue 2, pages 141–142, August 1998

Additional Information

How to Cite

Du, H., Fuh, R.-C. A., Li, J., Corkan, L. A. and Lindsey, J. S. (1998), PhotochemCAD: A Computer-Aided Design and Research Tool in Photochemistry. Photochemistry and Photobiology, 68: 141–142. doi: 10.1111/j.1751-1097.1998.tb02480.x

Author Information

  1. Department of Chemistry, North Carolina State University, Raleigh, NC, USA

**Department of Chemistry, North Carolina State University, Raleigh, NC27695–8204, USA.e-mail jlindsey@ncsu.edu

  1. †

    †The software can be downloaded from the Photochemistry and Photobiology website (http:www.kumc.eduPOLPAPHomepap_home.html) by accessing the Table of Contents for this issue.

Publication History

  1. Issue published online: 2 JAN 2008
  2. Article first published online: 2 JAN 2008
  3. Received 17 February 1998; accepted 24 April 1998

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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.

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