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

Bojana Koteska

Bojana Koteska

Faculty of Computer Science and Engineering, Ss. Cyril and Methodius University
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Koteska, Bojana
, 
Anastas Mishev

Anastas Mishev

Institute of Chemistry, Faculty of Natural Sciences and Mathematics, Ss. Cyril and Methodius University
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Mishev, Anastas
 and 
Ljupco Pejov

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 StavangerNorway
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Pejov, Ljupco
  
Dec 31, 2020
Finite-Temperature Single Molecule Vibrational Dynamics from Combined Density Functional Tight Binding Extended Lagrangian Dynamics Simulations and Time Series Analysis's Cover Image
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Published Online: Dec 31, 2020
Page range: 201 - 212
Received: Aug 25, 2020
Accepted: Nov 05, 2020
DOI: https://doi.org/10.2478/cait-2020-0074
Keywords
© 2020 Bojana Koteska et al., published by Sciendo
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.
Language:
English
Publication timeframe:
4 times per year
Journal Subjects:
Computer Sciences, Information Technology
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