Literature DB >> 21219147

Nonadiabatic events and conical intersections.

Spiridoula Matsika1, Pascal Krause.   

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.

Entities:  

Year:  2011        PMID: 21219147     DOI: 10.1146/annurev-physchem-032210-103450

Source DB:  PubMed          Journal:  Annu Rev Phys Chem        ISSN: 0066-426X            Impact factor:   12.703


  9 in total

1.  Photochemistry of highly excited states.

Authors:  R D Levine
Journal:  Proc Natl Acad Sci U S A       Date:  2017-11-30       Impact factor: 11.205

2.  Excited-state relaxation paths of oxo/hydroxy and N9H/N7H tautomers of guanine: a CC2 theoretical study.

Authors:  Vassil B Delchev
Journal:  J Mol Model       Date:  2013-02-06       Impact factor: 1.810

3.  Ultrafast 25-fs relaxation in highly excited states of methyl azide mediated by strong nonadiabatic coupling.

Authors:  William K Peters; David E Couch; Benoit Mignolet; Xuetao Shi; Quynh L Nguyen; Ryan C Fortenberry; H Bernhard Schlegel; Françoise Remacle; Henry C Kapteyn; Margaret M Murnane; Wen Li
Journal:  Proc Natl Acad Sci U S A       Date:  2017-11-06       Impact factor: 11.205

4.  Excited state tracking during the relaxation of coordination compounds.

Authors:  Juan Sanz García; Martial Boggio-Pasqua; Ilaria Ciofini; Marco Campetella
Journal:  J Comput Chem       Date:  2019-02-23       Impact factor: 3.376

5.  On the formation of anions: frequency-, angle-, and time-resolved photoelectron imaging of the menadione radical anion.

Authors:  James N Bull; Christopher W West; Jan R R Verlet
Journal:  Chem Sci       Date:  2014-12-17       Impact factor: 9.825

6.  Dynamics of recombination via conical intersection in a semiconductor nanocrystal.

Authors:  Wei-Tao Peng; B Scott Fales; Yinan Shu; Benjamin G Levine
Journal:  Chem Sci       Date:  2017-11-13       Impact factor: 9.825

7.  Photorelaxation and Photorepair Processes in Nucleic and Amino Acid Derivatives.

Authors:  Carlos E Crespo-Hernández
Journal:  Molecules       Date:  2017-12-12       Impact factor: 4.411

8.  Machine learning enables long time scale molecular photodynamics simulations.

Authors:  Julia Westermayr; Michael Gastegger; Maximilian F S J Menger; Sebastian Mai; Leticia González; Philipp Marquetand
Journal:  Chem Sci       Date:  2019-08-05       Impact factor: 9.969

Review 9.  Non-adiabatic dynamics close to conical intersections and the surface hopping perspective.

Authors:  João Pedro Malhado; Michael J Bearpark; James T Hynes
Journal:  Front Chem       Date:  2014-11-21       Impact factor: 5.221

  9 in total

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