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Zlatko Bacic

Professor of Chemistry

    1980 …2019
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    • 2 Similar Profiles
    Potential energy surfaces Chemical Compounds
    Molecules Chemical Compounds
    eigenvectors Physics & Astronomy
    molecules Physics & Astronomy
    clathrates Physics & Astronomy
    potential energy Physics & Astronomy
    Hydrates Chemical Compounds
    Inelastic neutron scattering Chemical Compounds

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    Research Output 1980 2019

    • 129 Article
    • 4 Chapter (peer-reviewed)
    • 2 Conference contribution
    • 1 Book

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

    Lauvergnat, D., Felker, P., Scribano, Y., Benoit, D. M. & Bacic, Z., Apr 21 2019, In : Journal of Chemical Physics. 150, 15, 154303.

    Research output: Contribution to journal › Article

    clathrates
    Vibrational spectra
    Hydrates
    hydrates
    frequency shift

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

    Felker, P. M., Lauvergnat, D., Scribano, Y., Benoit, D. M. & Bacic, Z., Sep 28 2019, In : Journal of Chemical Physics. 151, 12, 124311.

    Research output: Contribution to journal › Article

    Open Access
    clathrates
    Hydrates
    vibrational states
    hydrates
    frequency shift

    The Endofullerene HF@C60: Inelastic Neutron Scattering Spectra from Quantum Simulations and Experiment, Validity of the Selection Rule, and Symmetry Breaking

    Xu, M., Felker, P. M., Mamone, S., Horsewill, A. J., Rols, S., Whitby, R. J. & Bacic, Z., Jan 1 2019, (Accepted/In press) In : Journal of Physical Chemistry Letters. p. 5365-5371 7 p.

    Research output: Contribution to journal › Article

    Inelastic neutron scattering
    broken symmetry
    inelastic scattering
    neutron scattering
    simulation

    Weakly bound molecular dimers: Intramolecular vibrational fundamentals, overtones, and tunneling splittings from full-dimensional quantum calculations using compact contracted bases of intramolecular and low-energy rigid-monomer intermolecular eigenstates

    Felker, P. M. & Bacic, Z., Jul 14 2019, In : Journal of Chemical Physics. 151, 2, 024305.

    Research output: Contribution to journal › Article

    Open Access
    Hamiltonians
    Dimers
    eigenvectors
    monomers
    Monomers

    An open-chain imaginary-time path-integral sampling approach to the calculation of approximate symmetrized quantum time correlation functions

    Cendagorta, J. R., Bacic, Z. & Tuckerman, M., Mar 14 2018, In : Journal of Chemical Physics. 148, 10, 102340.

    Research output: Contribution to journal › Article

    sampling
    Sampling
    Molecular dynamics
    Mathematical operators
    Trajectories