Technological Platform High Performance Computing

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2023
Periodic DFT Computation of Rotational Barriers for Linear Molecules in Zeolites: Validation via Zero-Point Energies and Isotopic Heat Difference Values of Adsorbed H2/D2
Rybakov, A., Trubnikov, D. N., Vercauteren, D. & Larin, A., 15 Jan 2023, In: Materials Chemistry and Physics . 294, 12 p., 126929.
Research output: Contribution to journal › Review article › peer-review