Peter Felker

Botany and Plant Pathology Michigan State University, East Lansing, MI 
"Peter Felker"
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Liu Y, Li J, Felker PM, et al. (2021) HCl-HO dimer: an accurate full-dimensional potential energy surface and fully coupled quantum calculations of intra- and intermolecular vibrational states and frequency shifts. Physical Chemistry Chemical Physics : Pccp. 23: 7101-7114
Felker PM, Bačić Z. (2021) HDO-CO Complex: D-Bonded and H-Bonded Isomers and Intra- and Intermolecular Rovibrational States from Full-Dimensional and Fully Coupled Quantum Calculations. The Journal of Physical Chemistry. A
Felker PM, Bačić Z. (2020) HO-CO and DO-CO complexes: Intra- and intermolecular rovibrational states from full-dimensional and fully coupled quantum calculations. The Journal of Chemical Physics. 153: 074107
Felker PM, Bačić Z. (2020) Benzene-HO and benzene-HDO: Fully coupled nine-dimensional quantum calculations of flexible HO/HDO intramolecular vibrational excitations and intermolecular states of the dimers, and their infrared and Raman spectra using compact bases. The Journal of Chemical Physics. 152: 124103
Felker PM, Bačić Z. (2020) Flexible water molecule in C: Intramolecular vibrational frequencies and translation-rotation eigenstates from fully coupled nine-dimensional quantum calculations with small basis sets. The Journal of Chemical Physics. 152: 014108
Xu M, Felker PM, Bačić Z. (2020) Light molecules inside the nanocavities of fullerenes and clathrate hydrates: inelastic neutron scattering spectra and the unexpected selection rule from rigorous quantum simulations International Reviews in Physical Chemistry. 39: 425-463
Felker PM, Lauvergnat D, Scribano Y, et al. (2019) Intramolecular stretching vibrational states and frequency shifts of (H) confined inside the large cage of clathrate hydrate from an eight-dimensional quantum treatment using small basis sets. The Journal of Chemical Physics. 151: 124311
Xu M, Felker PM, Mamone S, et al. (2019) The Endofullerene HF@C: Inelastic Neutron Scattering Spectra from Quantum Simulations and Experiment, Validity of the Selection Rule and Symmetry Breaking. The Journal of Physical Chemistry Letters
Felker PM, Bačić Z. (2019) 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. The Journal of Chemical Physics. 151: 024305
Lauvergnat D, Felker P, Scribano Y, et al. (2019) H, HD, and D 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. The Journal of Chemical Physics. 150: 154303
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