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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
 et 
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
  
31 déc. 2020
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Publié en ligne: 31 déc. 2020
Pages: 201 - 212
Reçu: 25 août 2020
Accepté: 05 nov. 2020
DOI: https://doi.org/10.2478/cait-2020-0074
Mots clés
© 2020 Bojana Koteska et al., published by Sciendo
This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License.
Langue:
Anglais
Périodicité:
4 fois par an
Sujets de la revue:
Informatique, Informatique
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