@inbook {6279,
	title = {Ab Initio Investigation of Photochemical Reaction Mechanisms: From Isolated Molecules to Complex Environments},
	booktitle = {Handbook of Computational Chemistry},
	year = {2012},
	pages = {1359-1404},
	publisher = {Springer Netherlands},
	organization = {Springer Netherlands},
	address = {Amsterdam},
	abstract = {This chapter focuses on the computational investigations of light-induced chemical reactions in different systems ranging from organic molecules in vacuo to chromophores in complex protein environments. The aim is to show how the methods of computational photochemistry can be used to attain a molecular-level understanding of the mechanisms of photochemical and photophysical transformations. Following a brief introduction to the field, the most frequently used quantum chemical methods for mapping excited state potential energy surfaces and for studying the mechanism of photochemical reactions in isolated molecules are outlined. In the following sections, such methods and concepts are further developed to allow the investigation of photo-induced reactions in solution and in the protein environment.},
	url = {http://link.springer.com/referenceworkentry/10.1007/978-94-007-0711-5_39},
	author = {Schapiro, Igor and Patrick El-Khoury and Olivucci, Massimo}
}
@inbook {6280,
	title = {Computational Photochemistry and Photobiology},
	booktitle = {CRC Handbook of Organic Photochemistry and Photobiology},
	volume = {1},
	year = {2012},
	pages = {1029-1056},
	publisher = {CRC Press},
	organization = {CRC Press},
	edition = {3rd},
	address = {Boca Raton},
	url = {http://www.crcnetbase.com/doi/abs/10.1201/b12252-42},
	author = {Patrick Zakhia El-Khoury and Igor Schaprio and Mark Huntress and Federico Melaccio and Samer Gozem and Frutos, Luis Manuel and Olivucci, Massimo}
}
@article {5782,
	title = {Dynamic electron correlation effects on the ground state potential energy surface of a retinal chromophore model},
	journal = {Journal of Chemical Theory and Computation},
	volume = {8},
	year = {2012},
	note = {Cited By :48Export Date: 25 January 2016},
	month = {2012},
	pages = {4069 - 4080},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84869024856\&partnerID=40\&md5=fa92048e5d00b8bc8096366e9f87e385},
	author = {Gozem, S. and Huntress, M. and Schapiro, I. and Lindh, R. and Granovsky, A.A. and C. Angeli and Olivucci, M.}
}
@article {5781,
	title = {Mechanistic origin of the vibrational coherence accompanying the photoreaction of biomimetic molecular switches},
	journal = {Chemistry - A European Journal},
	volume = {18},
	year = {2012},
	note = {(selected as VIP: Very Important Paper and Journal Cover)},
	month = {2012},
	pages = {15296 - 15304},
	abstract = {The coherent photoisomerization of a chromophore in condensed phase is a rare process in which light energy is funneled into specific molecular vibrations during electronic relaxation from the excited to the ground state. In this work, we employed ultrafast spectroscopy and computational methods to investigate the molecular origin of the coherent motion accompanying the photoisomerization of indanylidene{\textendash}pyrroline (IP) molecular switches. UV/Vis femtosecond transient absorption gave evidence for an excited- and ground-state vibrational wave packet, which appears as a general feature of the IP compounds investigated. In close resemblance to the coherent photoisomerization of rhodopsin, the sudden onset of a far-red-detuned and rapidly blue-shifting photoproduct signature indicated that the population arriving on the electronic ground state after nonadiabatic decay through the conical intersection (CI) is still very focused in the form of a vibrational wave packet. Semiclassical trajectories were employed to investigate the reaction mechanism. Their analysis showed that coupled double-bond twisting and ring inversions, already populated during the excited-state reactive motion, induced periodic changes in π-conjugation that modulate the ground-state absorption after the non-adiabatic decay. This prediction further supports that the observed ground-state oscillation results from the reactive motion, which is in line with a biomimetic, coherent photoisomerization scenario. The IP compounds thus appear as a model system to investigate the mechanism of mode-selective photomechanical energy transduction. The presented mechanism opens new perspectives for energy transduction at the molecular level, with applications to the design of efficient molecular devices.},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84869476439\&partnerID=40\&md5=cc38a9ec62ec7359515fac3b2ee5654e},
	author = {L{\'e}onard, J. and Schapiro, I. and Briand, J. and Fusi, S. and Paccani, R.R. and Olivucci, M. and Haacke, S.}
}
@article {5783,
	title = {The molecular mechanism of thermal noise in rod photoreceptors},
	journal = {Science},
	volume = {337},
	year = {2012},
	note = {Cited By :28Export Date: 25 January 2016},
	month = {2012},
	pages = {1225 - 1228},
	url = {http://www.scopus.com/inward/record.url?eid=2-s2.0-84865826150\&partnerID=40\&md5=0248715067dccace5db88470283c0c57},
	author = {Gozem, S. and Schapiro, I. and Ferr{\'e}, N. and Olivucci, M.}
}
