Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
18-Oct-2022 | /M06_calculations Pd(PPh3)2 | Xu, Jihong | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization Minimum | RM06 | GENECP | - | ||||
18-Oct-2022 | /M06_calculations IM9 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2361.74245049; Eh | ||||
18-Oct-2022 | /M06_calculations TS2base-2 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2361.74354213; Eh | ||||
18-Oct-2022 | /M06_calculations IM11 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2438.33169940; Eh | ||||
18-Oct-2022 | /M06_calculations IM10 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2438.31645834; Eh | ||||
18-Oct-2022 | /M06_calculations TS12 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2438.29846823; Eh | ||||
18-Oct-2022 | /M06_calculations TS9a | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2721.92632809; Eh | ||||
18-Oct-2022 | /M06_calculations Ga | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2721.96816275; Eh | ||||
18-Oct-2022 | /M06_calculations TS8a2 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2721.87444108; Eh | ||||
18-Oct-2022 | /M06_calculations Ea | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2721.96569829; Eh |
Results 431-440 of 569 (Search time: 0.002 seconds).
Discover
Subject