All Stories

  1. Intramolecular stretching vibrational states and frequency shifts of (H2)2 confined inside the large cage of clathrate hydrate from an eight-dimensional quantum treatment using small basis sets

    Article • The Journal of Chemical Physics, September 2019, American Institute of Physics

    David Benoit

  2. H2, HD, and D2in the small cage of structure II clathrate hydrate: Vibrational frequency shifts from fully coupled quantum six-dimensional calculations of the vibration-translation-rotation eigenstates

    Article • The Journal of Chemical Physics, April 2019, American Institute of Physics

    David Benoit

  3. Understanding of matrix embedding: a theoretical spectroscopic study of CO interacting with Ar clusters, surfaces and matrices

    Article • Physical Chemistry Chemical Physics, January 2015, Royal Society of Chemistry

    David Benoit

  4. Towards an understanding of the vibrational spectrum of the neutral Au7cluster

    Article • Physical Chemistry Chemical Physics, January 2013, Royal Society of Chemistry

    David Benoit

  5. Analysis of rich inelastic electron tunneling spectra: Case study of terthiophene on Au(111)

    Article • Review of Scientific Instruments, January 2013, American Institute of Physics

    David Benoit

  6. Determination of molecular vibrational state energies using the ab initio semiclassical initial value representation: Application to formaldehyde

    Article • The Journal of Chemical Physics, March 2011, American Institute of Physics

    David Benoit

  7. Vibrations of a single adsorbed organic molecule: anharmonicity matters!

    Article • Physical Chemistry Chemical Physics, January 2011, Royal Society of Chemistry

    David Benoit

  8. Bis(terpyridine)-based surface template structures on graphite: a force field and DFT study

    Article • Physical Chemistry Chemical Physics, January 2009, Royal Society of Chemistry

    David Benoit