NonAdiabatic Molecular Dynamics of organic Intermediates in Atmospheric chemistry

Project Information

NAMDIA

Grant agreement ID: 701355

DOI

10.3030/701355

Project terminated on 31 October 2017

EC signature date 25 February 2016

Start date 2 May 2016

End date 1 May 2018

Funded under

• EXCELLENT SCIENCE - Marie Skłodowska-Curie Actions

Total cost

€ 183 454,80

EU contribution

€ 183 454,80

Coordinated by

UNIVERSITY OF BRISTOL
United Kingdom

CORDIS provides links to public deliverables and publications of HORIZON projects.

Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Peer reviewed articles (4)

Pushing the Limits of EOM-CCSD with Projector-Based Embedding for Excitation Energies

Author(s): Simon J. Bennie, Basile F. E. Curchod, Frederick R. Manby, David R. Glowacki
Published in: The Journal of Physical Chemistry Letters, Issue 8/22, 2017, Page(s) 5559-5565, ISSN 1948-7185
Publisher: American Chemical Society
DOI: 10.1021/acs.jpclett.7b02500

Spin Changes Accompany Ultrafast Structural Interconversion in the Ground State of a Cobalt Nitrosyl Complex

Author(s): Hugo J. B. Marroux, Basile F. E. Curchod, Charly A. Faradji, Timothy A. Shuttleworth, Hazel A. Sparkes, Paul G. Pringle, Andrew J. Orr-Ewing
Published in: Angewandte Chemie International Edition, Issue 56/44, 2017, Page(s) 13713-13716, ISSN 1433-7851
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/anie.201707508

Criegee Intermediate–Alcohol Reactions, A Potential Source of Functionalized Hydroperoxides in the Atmosphere

Author(s): Max R. McGillen, Basile F.E. Curchod, Rabi Chhantyal-Pun, Joseph M. Beames, Nathan Watson, M. Anwar H. Khan, Laura McMahon, Dudley E. Shallcross, Andrew J. Orr-Ewing
Published in: ACS Earth and Space Chemistry, 2017, ISSN 2472-3452
Publisher: ACS
DOI: 10.1021/acsearthspacechem.7b00108

Communication: XFAIMS—eXternal Field Ab Initio Multiple Spawning for electron-nuclear dynamics triggered by short laser pulses

Author(s): Benoit Mignolet, Basile F. E. Curchod, Todd J. Martínez
Published in: The Journal of Chemical Physics, Issue 145/19, 2016, Page(s) 191104, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/1.4967761