Professor Brad Gibson
Astrophysics at the University of Hull
People Involved
Dr Elke Roediger E.Roediger@hull.ac.uk
Reader in Astrophysics, Director of the E.A. Milne Centre for Astrophysics
Dr David Benoit D.Benoit@hull.ac.uk
Senior Lecturer in Molecular Physics and Astrochemistry
Dr Siri Chongchitnan
Dr Marco Pignatari
Professor Kevin Pimbblet K.Pimbblet@hull.ac.uk
Director of DAIM; Professor
A Large-scale Approach to Modeling Molecular Biosignatures: The Diatomics (2022)
Journal Article
Cross, T. M., Benoit, D. M., Pignatari, M., & Gibson, B. K. (2022). A Large-scale Approach to Modeling Molecular Biosignatures: The Diatomics. The Astrophysical journal, 925(1), Article 57. https://doi.org/10.3847/1538-4357/ac3976This work presents the first steps to modeling synthetic rovibrational spectra for all molecules of astrophysical interest using a new approach implemented in the Prometheus code. The goal is to create a new comprehensive source of first-principles m... Read More about A Large-scale Approach to Modeling Molecular Biosignatures: The Diatomics.
The vibrational properties of benzene on an ordered water ice surface (2021)
Journal Article
Clark, V. H., & Benoit, D. M. (2021). The vibrational properties of benzene on an ordered water ice surface. Monthly notices of the Royal Astronomical Society, 508(3), 3239-3250. https://doi.org/10.1093/mnras/stab2670We present a hybrid CCSD(T) + PBE-D3 approach to calculating the vibrational signatures for gas-phase benzene and benzene adsorbed on an ordered water ice surface. We compare the results of our method against experimentally recorded spectra and calcu... Read More about The vibrational properties of benzene on an ordered water ice surface.
Does cage quantum delocalisation influence the translation-rotational bound states of molecular hydrogen in clathrate hydrate? (2018)
Journal Article
Benoit, D. M., Lauvergnat, D., & Scribano, Y. (2018). Does cage quantum delocalisation influence the translation-rotational bound states of molecular hydrogen in clathrate hydrate?. Faraday Discussions, 212, 533-546. https://doi.org/10.1039/c8fd00087eIn this study, we examine the effect of a flexible description of the clathrate hydrate framework on the translation-rotation (TR) eigenstates of guest molecules such as molecular hydrogen. Traditionally, the water cage structure is assumed to be rig... Read More about Does cage quantum delocalisation influence the translation-rotational bound states of molecular hydrogen in clathrate hydrate?.