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Year: 2020


Type: Article


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


Author: Koteska, Bojana
Author: Mishev, Anastas
Author: Pejov, LJupcho


Abstract:


Publisher: BULGARIAN ACADEMY OF SCIENCES


Relation: CYBERNETICS AND INFORMATION TECHNOLOGIES


Identifier: oai:repository.ukim.mk:20.500.12188/9990
Identifier: http://hdl.handle.net/20.500.12188/9990
Identifier: 10.2478/cait-2020-0074


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Finite-Temperature Single Molecule Vibrational Dynamics from Combined Density Functional Tight Binding Extended Lagrangian Dynamics Simulations and Time Series Analysis202025