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http://hdl.handle.net/20.500.12188/9990| Title: | Finite-Temperature Single Molecule Vibrational Dynamics from Combined Density Functional Tight Binding Extended Lagrangian Dynamics Simulations and Time Series Analysis | Authors: | Koteska, Bojana Mishev, Anastas Pejov, LJupcho |
Issue Date: | 31-Dec-2020 | Publisher: | BULGARIAN ACADEMY OF SCIENCES | Related Dataset: | Dataset for complete trajectories from ADMP DFTBA MD simulations of formic acid starting from the minima corresponding to cis and trans conformers at series of different temperatures | Journal: | CYBERNETICS AND INFORMATION TECHNOLOGIES | Series/Report no.: | 20;6 | URI: | http://hdl.handle.net/20.500.12188/9990 | DOI: | 10.2478/cait-2020-0074 |
| Appears in Collections: | Faculty of Computer Science and Engineering: Journal Articles |
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