Finite-Temperature Single Molecule Vibrational Dynamics from Combined Density Functional Tight Binding Extended Lagrangian Dynamics Simulations and Time Series Analysis

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Open Access

|Dec 2020

Authors

Faculty of Computer Science and Engineering, Ss. Cyril and Methodius University

Institute of Chemistry, Faculty of Natural Sciences and Mathematics, Ss. Cyril and Methodius University

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

DOI: https://doi.org/10.2478/cait-2020-0074 | Journal eISSN: 1314-4081 | Journal ISSN: 1311-9702

Language: English

Page range: 201 - 212

Submitted on: Aug 25, 2020

Accepted on: Nov 5, 2020

Published on: Dec 31, 2020

Published by: Bulgarian Academy of Sciences, Institute of Information and Communication Technologies

In partnership with: Paradigm Publishing Services

Publication frequency: 4 issues per year

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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.