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NonAdiabatic Molecular Dynamics of organic Intermediates in Atmospheric chemistry

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Publications

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
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
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
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
DOI: 10.1063/1.4967761