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Pure Appl. Chem., 2005, Vol. 77, No. 6, pp. 977-993

Toward a computational photobiology

Adalgisa Sinicropi1, Tadeusz Andruniow1,2, Luca De Vico1, Nicolas Ferré3 and Massimo Olivucci1

1 Dipartimento di Chimica, Università di Siena, Italy
2 Department of Chemistry, Institute of Physical and Theoretical Chemistry, Wroclaw University of Technology, Wroclaw, Poland
3 Laboratoire 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.