Research Output per year
Fingerprint Weighted list of dominant concepts in the researcher's publications (titles and abstracts).
- 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
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