المؤلفون: Yuriy A. Abramov (1434262), Bochen Li (5431028), Chao Chang (2607691), Qun Zeng (578055), Guangxu Sun (1603687), Gianpaolo Gobbo (1467925)

مصطلحات موضوعية: Sociology, Plant Biology, Computational Biology, Biological Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Information Systems not elsewhere classified, virtual crystalline states, systematic scaling error, stable form selection, smallest absolute errors, hartree – fock, five oxalyl dihydrazide, crystal structure prediction, four pharmaceutical compounds, selected popular dft, favorable uncertainty distribution, )/ hmbi predictions, uncertainty distribution, pharmaceutical industry, uncertainty distributions, valuable support, successful applications, relative energies, polymorphs relative, lowest contribution, eight roy, ccsd ­(, benchmarking studies, accurate enough

Relation: https://figshare.com/articles/journal_contribution/Uncertainty_Distribution_of_Crystal_Structure_Prediction/16540179

الاتاحة: https://doi.org/10.1021/acs.cgd.1c00527.s001