The data set contains: Nuclear repulsion energy: xyz coordinates of CHA and BEA energies given in json file (CHA-NRE.json and BEA-NRE.jon) Structures: xyz coordinates of the
The dual-cycle mechanism, which comprises the aromatic-based cycle and the alkene-based cycle, determines the product distribution and light olefin selectivity in the methanol-to olefin (MTO) reaction
This dataset consists of X-ray absorption fine structure (XAFS) spectra at In K-edge of Indium measured at Photon Factory AR-NW10A, and is a part of XAFS database (MDR XAFS DB, https://doi.org/10.4850
This dataset consists of X-ray absorption fine structure (XAFS) spectra at W K-edge of Tungsten selenide measured at SPring-8 BL14B2, and is a part of XAFS database (MDR XAFS DB, https://doi.org/10.48
