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Publikováno v:
The journal of physical chemistry letters. 13(28)
The potential energy surface (PES) is crucial for interpreting a variety of chemical reaction processes. However, predicting accurate PESs with high-level electronic structure methods is a challenging task due to the high computational cost. As an ap
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2e0b78cf2833660a7a097f15846bb9ca
https://pubmed.ncbi.nlm.nih.gov/35816117
https://pubmed.ncbi.nlm.nih.gov/35816117
