Browsing "Ss. Cyril and Methodius University in Skopje" by Subject Atom-centered density matrix propagation
Showing results 1 to 1 of 1
| Preview | Title | Author(s) | Issue Date | Type |
|---|---|---|---|---|
| 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 | Pejov, LJupcho ; Koteska, Bojana ; Mishev, Anastas | Dec-2020 | Dataset |