Papers matching “density functional accuracy” 7
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The accuracy of carbon-13 NMR magnetic-shielding tensors calculated using periodic DFT: a case study on the distinction of crystalline serine phases2026 Physical Chemistry Chemical Physics article Chemistry Advanced NMR Techniques and Applications Open access
Kathrin Rübartsch, Leeroy Hendrickx, Ettore Bartalucci, Maksim S. Plekhanov, Mirijam Zobel, Carsten Bolm, +2 more
1citations -
The accuracy of carbon-13 NMR magnetic-shielding tensors calculated using periodic DFT: a case study on the distinction of crystalline serine phases2026 Physical Chemistry Chemical Physics article Chemistry Advanced NMR Techniques and Applications Open access
Kathrin Rübartsch, Leeroy Hendrickx, Ettore Bartalucci, Maksim S. Plekhanov, Mirijam Zobel, Carsten Bolm, +2 more
0citations -
Probing the electronic structure and ground state symmetry of gas phase C60+ via VUV photoionization and comparison with theory2024 The Journal of Chemical Physics article Chemistry Fullerene Chemistry and Applications Open access
Helgi Rafn Hróðmarsson, Mathias Rapacioli, Fernand Spiegelman, Gustavo A. García, Jordy Bouwman, Laurent Nahon, +1 more
5citations
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