| 查看: 805 | 回复: 0 | |||
[求助]
求翻译一句话
|
| When studying the model catalyst A in the solvent toluene, ,the DFT method with the Becke′s three-parameter rhybrid functional,LYP Pcorrelation functional(B3LYP) )functional together with hPCM model l(radii i= =UFF, ,ε ε= =2.3741 1for rtoluene) )was utilized to fully optimize all the stationary points on the PES without symmetry or geometric constraints, ,in conjunction with effective core potentials (ECPs) )with the SDD basis sets for rhodium mand the 6-31G* 2basis sets for other relements (called dBS1) |
回复此楼» 猜你喜欢
请问社科规划办官网上的“项目查询模块”与“项目申报模块”的账号密码一样吗？
已经有3人回复
-
用NBS溴化时溶剂除了CCl4外还有什么
已经有9人回复
-
40+中年人失业后，还能找到好工作吗？
已经有15人回复
-
二审4个多月了还是Awaiting Reviewer Scores
已经有5人回复
-
申请科研项目纯靠实力能成功吗？
已经有12人回复
-
极限拉扯，如何抉择
已经有15人回复