Finite-Temperature Single Molecule Vibrational Dynamics from Combined Density Functional Tight Binding Extended Lagrangian Dynamics Simulations and Time Series Analysis
By: Bojana Koteska, Anastas Mishev and Ljupco Pejov
Authors
Bojana Koteska
Faculty of Computer Science and Engineering, Ss. Cyril and Methodius University
Anastas Mishev
Institute of Chemistry, Faculty of Natural Sciences and Mathematics, Ss. Cyril and Methodius University
Ljupco Pejov
Institute of Chemistry, Faculty of Natural Sciences and Mathematics, Ss. Cyril and Methodius University
Department of Chemistry, Bioscience and Environmental Engineering, Faculty of Science and Technology, University of Stavanger, Norway
Language: English
Page range: 201 - 212
Submitted on: Aug 25, 2020
Accepted on: Nov 5, 2020
Published on: Dec 31, 2020
In partnership with: Paradigm Publishing Services
Publication frequency: 4 issues per year
Keywords:
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© 2020 Bojana Koteska, Anastas Mishev, Ljupco Pejov, published by Bulgarian Academy of Sciences, Institute of Information and Communication Technologies
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.