A Unified View of Vibrational Spectroscopy Simulation through Kernel Density Estimations
Author:
Affiliation:
1. Nano and Molecular Systems Research Unit, University of Oulu, Oulu 90014, Finland
Funder
H2020 European Research Council
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.3c00665
Reference50 articles.
1. Raman and IR spectra of a 2D Thiophene-Tetrathia-Annulene monolayer calculated via density-functional theory
2. Energy, Phonon, and Dynamic Stability Criteria of Two-Dimensional Materials
3. Vibrational thermodynamics of materials
4. Structural, optoelectronic, infrared and Raman spectra from first principles calculations of γ-Cd(OH)2
5. Lattice dynamics and anharmonicity of CaZrF6 from Raman spectroscopy and ab initio calculations
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