Browsing "Ss. Cyril and Methodius University in Skopje" by Subject Atom-centered density matrix propagation

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PreviewTitleAuthor(s)Issue DateType
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 temperaturesPejov, LJupcho ; Koteska, Bojana ; Mishev, Anastas Dec-2020Dataset