Pure Appl. Chem., 2005, Vol. 77, No. 6, pp. 977-993
doi:10.1351/pac200577060977
Toward a computational photobiology*
Adalgisa Sinicropi1, Tadeusz Andruniow1,2, Luca De Vico1, Nicolas Ferré3, and Massimo Olivucci1
1Dipartimento di Chimica, Università di Siena, Italy; 2Department of Chemistry, Institute of Physical and Theoretical Chemistry, Wroclaw University of Technology, Wroclaw, Poland; 3Laboratoire de Chimie Théoretique et de Modélisation Moléculaire, CNRS Université de Provence, France
Abstract:
In this paper, we discuss the results of our recent studies on the molecular mechanism, which stand at the basis of the photochemical processes occurring in photobiological systems. These results are obtained using modern, robust, and fairly accurate high-level quantum chemical methods.
Keywords: computational photobiology; molecular mechanisms; photobiology; photoisomerization; quantum chemical.
*Paper based on a presentation at the XXth IUPAC Symposium on Photochemistry, Granada, Spain, 17-22 July 2004. Other presentations are published in this issue, pp. 925-1085.
All articles from the XXth IUPAC Symposium on Photochemistry, Granada, Spain, 17–22 July 2004.