Zlatko Bačić

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 13

Top Topics

Molecular Dynamics Simulations

Energy Transfer

Top Venues

The Journal of chemical physics

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

This page only lists publications with an associated author ORCID identifier.

Publications

Peter M Felker, Irén Simkó, Zlatko Bačić
Intermolecular Bending States and Tunneling Splittings of Water Trimer from Rigorous 9D Quantum Calculations: I. Methodology, Energy Levels, and Low-Frequency Spectrum. The journal of physical chemistry. A (2024)
Peter M Felker, Zlatko Bačić
HF trimer: 12D fully coupled quantum calculations of HF-stretch excited intramolecular and intermolecular vibrational states using contracted bases of intramolecular and intermolecular eigenstates. The Journal of chemical physics 158 (23) (2023)
Peter M Felker, Zlatko Bačić
Noncovalently bound molecular complexes beyond diatom-diatom systems: full-dimensional, fully coupled quantum calculations of rovibrational states. Physical chemistry chemical physics : PCCP 24 (40) (2022)
Peter M Felker, Zlatko Bačić
Erratum: "Intermolecular vibrational states of HF trimer from rigorous nine-dimensional quantum calculations: Strong coupling between intermolecular bending and stretching vibrations and the importance of the three-body interactions" [J. Chem. Phys. 157, 194103 (2022)]. The Journal of chemical physics 157 (23) (2022)
Peter M Felker, Zlatko Bačić
Erratum: "Intermolecular vibrational states of HF trimer from rigorous nine-dimensional quantum calculations: Strong coupling between intermolecular bending and stretching vibrations and the importance of the three-body interactions" [J. Chem. Phys. 157, 194103 (2022)]. The Journal of chemical physics 157 (23) (2022)
Peter M Felker, Zlatko Bačić
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 125 (4) (2021)
Peter M Felker, Yang Liu, Jun Li, Zlatko Bačić
DCl-H2O, HCl-D2O, and DCl-D2O Dimers: Inter- and Intramolecular Vibrational States and Frequency Shifts from Fully Coupled Quantum Calculations on a Full-Dimensional Neural Network Potential Energy Surface. The journal of physical chemistry. A 125 (29) (2021)
Peter M Felker, Zlatko Bačić
Flexible water molecule in C60: Intramolecular vibrational frequencies and translation-rotation eigenstates from fully coupled nine-dimensional quantum calculations with small basis sets. The Journal of chemical physics 152 (1) (2020)
Minzhong Xu, Peter M Felker, Salvatore Mamone, Anthony J Horsewill, Stéphane Rols, Richard J Whitby, Zlatko Bačić
The Endofullerene HF@C60: Inelastic Neutron Scattering Spectra from Quantum Simulations and Experiment, Validity of the Selection Rule, and Symmetry Breaking. The journal of physical chemistry letters 10 (18) (2019)
Peter M Felker, David Lauvergnat, Yohann Scribano, David M Benoit, Zlatko Bačić
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. The Journal of chemical physics 151 (12) (2019)
Zlatko Bačić
Perspective: Accurate treatment of the quantum dynamics of light molecules inside fullerene cages: Translation-rotation states, spectroscopy, and symmetry breaking. The Journal of chemical physics 149 (10) (2018)
Anna Powers, Yohann Scribano, David Lauvergnat, Elsy Mebe, David M Benoit, Zlatko Bačić
The effect of the condensed-phase environment on the vibrational frequency shift of a hydrogen molecule inside clathrate hydrates. The Journal of chemical physics 148 (14) (2018)
Joseph R Cendagorta, Zlatko Bačić, Mark E Tuckerman
An open-chain imaginary-time path-integral sampling approach to the calculation of approximate symmetrized quantum time correlation functions. The Journal of chemical physics 148 (10) (2018)