Nonadiabatic Events and Conical Intersections

Autor:	Pascal Krause, Spiridoula Matsika
Rok vydání:	2011
Předmět:	Nuclear dynamics Chemistry Chemical physics Computational chemistry Conical surface Physical and Theoretical Chemistry Quantum chemistry Electronic states
Zdroj:	Annual Review of Physical Chemistry. 62:621-643
ISSN:	1545-1593 0066-426X
DOI:	10.1146/annurev-physchem-032210-103450
Popis:	Nonadiabatic events, in which the Born-Oppenheimer approximation breaks down, are ubiquitous in chemistry and biology. It is now widely accepted that they are facilitated by conical intersections (CIs), actual degeneracies between electronic states. We review the basic theory of CIs and how they can be studied using modern quantum chemistry and nuclear dynamics. We highlight their importance by presenting their role in radiationless decay pathways present in the building blocks of DNA and proteins. The presence of CIs may contribute to the photostability of these important biomolecules.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::ad2f6610fe226230da5c7359af2360c2 https://doi.org/10.1146/annurev-physchem-032210-103450 Zobrazit plný text záznamu