Nonadiabatic Events and Conical Intersections
Top Cited Papers
- 5 May 2011
- journal article
- review article
- Published by Annual Reviews in Annual Review of Physical Chemistry
- Vol. 62 (1) , 621-643
Abstract
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.Keywords
This publication has 139 references indexed in Scilit:
- Quantum Dynamics of the Ultrafast ππ*/nπ* Population Transfer in Uracil and 5-Fluoro-Uracil in Water and AcetonitrileThe Journal of Physical Chemistry B, 2009
- An Ab Initio Study of Substituent Effects on the Excited States of Purine DerivativesThe Journal of Physical Chemistry A, 2008
- Optimizing Conical Intersections without Derivative Coupling Vectors: Application to Multistate Multireference Second-Order Perturbation Theory (MS-CASPT2)The Journal of Physical Chemistry B, 2007
- Radiationless Decay Mechanism of Cytosine: An Ab Initio Study with Comparisons to the Fluorescent Analogue 5-Methyl-2-pyrimidinoneThe Journal of Physical Chemistry A, 2007
- Unified Model for the Ultrafast Decay of Pyrimidine NucleobasesThe Journal of Physical Chemistry B, 2006
- Ab initio study of a biradical radiationless decay channel of the lowest excited electronic state of cytosine and its derivativesThe Journal of Chemical Physics, 2005
- Three-State Conical Intersections in Nucleic Acid BasesThe Journal of Physical Chemistry A, 2005
- Conical intersections of three states: Energies, derivative couplings, and the geometric phase effect in the neighborhood of degeneracy subspaces. Application to the allyl radicalThe Journal of Chemical Physics, 2003
- Multi-Electronic-State Molecular Dynamics: A Wave Function Approach with ApplicationsThe Journal of Physical Chemistry, 1996
- Radiationless transitions in moleculesAccounts of Chemical Research, 1978