Computational Photochemistry, Volume 16 provides an overview of general strategies currently used to investigate photochemical processes. Whilst contributing to establishing a branch of computational chemistry that deals with the properties and reactivity of photoexcited molecules, the book also provides insight into the conceptual and methodological research lines in computational photochemistry. Packed with examples of applications of modelling of basic photochemical reactions and the computer-aided development of novel materials in the field of photodegradation (paints), photoprotection (sunscreens), color regulation (photochromic devices) and fluorescent probes, this book is particularly useful to anyone interested in the effect of light on molecules and materials. * Provides an overview of computational photochemistry, dealing with principles and applications * Demonstrates techniques that can be used in the computer-aided design of novel photo responsive materials * Written by experts in computational photochemistry
This helpful guide is for both theoretical chemists and experimental photochemistry researchers interested in utilizing computational photochemistry methods for their own work.
7.5 SUMMARY: FUTURE OF NBO-BASED METHODS IN COMPUTATIONAL PHOTOCHEMISTRY How do we assess the current status and future prospects of NBO-based methods in computational modeling of photochemical phenomena?
For more detailed treatments of theories and models of computational chemistry,14 computational photochemistry,15–17 and quantum mechanics in general,18 the reader is referred to specialized textbooks. Simple quantum chemical models to ...
Computational Photochemistry and Photophysics: the state of the art Ya-Jun Liu,*a Daniel Roca-Sanjua ́nb and Roland Lindhb DOI: 10.1039/9781849734882-00042 This review starts with the most basic concepts in photochemistry and ...
Recent method developments and applications in computational photochemistry, chemiluminescene and bioluminescence Daniel Roca-Sanjua ́n,a Ignacio Fdez. Galva ́n,b Roland Lindhb and Ya-Jun Liu*c DOI: 10.1039/9781782624547-00011 This ...
232 F.-C. Hsu, Y.-L. Tung, Y. Chi, C.-C. Hsu, Y.-M. Cheng, M.-L. Ho, P.-T. Chou, S.-M. Peng and A. J. Carty, Inorg. Chem., 2006, 45, 10188. 233 S.-W. Li, Y.-M. Cheng, Y.-S. Yeh, C.-C. Hsu, P.-T. Chou, S.-M. Peng, G.-H. Lee, Y.-L. Tung, ...
Spectrochim. Acta A 63: 776–783. Foyle, V.P., Takahashi, Y., Guillet, J.E. 1992. Photoproducts in 2-hydroxyethyl methacrylate hydrogels swollen with water and 2-propanol. J. Polym. Sci. A 30: 257–269. Friedrichs, F., Murphy, B., Nayrat, ...
References 1 Ed. M. Olivucci, Computational Photochemistry, Elsevier, Amsterdam, 2005. 2 C. J. Cramer, Essentials of Computational Chemistry, Wiley, Chichester, 2002. 3 M. Merchan and L. Serrano-Andres, in: Computational Photochemistry, ...
Michl, J.; Bonacic-Kouteckð, V. Electronic Aspects of Organic Photochemistry; Wiley: New York (USA), 1990, 475p. ... Gilbert, A.; Baggott, J. Essentials of Molecular Photochemistry; CRC Press: Boca Raton (FL, USA), 1991, 538p.
Photochemistry, chemiluminescence and dark photochemistry: computational advances (2018–2019) D. Roca-Sanjua ́n,*a J. Carmona-Garcı ́a,a B.-W. Ding,b M. Navarrete-Miguel,a A. France ́s-Monerris,c,d A. Giussani,a J. Segarra-Martı ́,a,e ...