r2scan+d3

2025-01-02 20:59:30

拼音 [ 拼音 ]

求助如何使用r2SCAN-3c时为O原子的s,p轨道添加指数为0.08的弥散...

筛选出一部分结构再用更高精度的杂化泛函算单点（比如ωB97X-D3/def2-QZVP）。
...Investigation through the New Composite Method r2SCAN-3c...

3 Département de Technologie, Faculté de Technologie, Université 20 Août 1955, B.P. 26, Route d’El Hadaiek, Skikda 21000, Algeria 4 Department of Chemistry, College of Science, Imam Mohammad Ibn Saud Islamic University (IMSIU), Riyadh 11432, Saudi Arabia 5 Department of Chemistry, Coll...