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Zlatko Bacic

Professor of Chemistry

    1980 …2020

    Research output per year

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    Research Output

    Flexible water molecule in C60: Intramolecular vibrational frequencies and translation-rotation eigenstates from fully coupled nine-dimensional quantum calculations with small basis sets

    Felker, P. M. & Bačić, Z., Jan 7 2020, In : Journal of Chemical Physics. 152, 1, 014108.

    Research output: Contribution to journal › Article

    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

    • 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

    • 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

    • 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