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 IM12 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -3026.74874299; Eh | |||
 | 18-Oct-2022 | /M06_calculations IM15 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2929.08268732; Eh | |||
 | 18-Oct-2022 | /M06_calculations IM14 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2929.09795406; Eh | |||
 | 18-Oct-2022 | /M06_calculations 1a | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) | -730.846925044; Eh | |||
 | 18-Oct-2022 | /M06_calculations 2 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) | -447.270027695; Eh | |||
 | 18-Oct-2022 | /M06_calculations PPh3 | Xu, Jihong | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization Minimum | RM06 | 6-31G(D) | - | |||
 | 18-Oct-2022 | /M06_calculations BQ | Xu, Jihong | Gaussian; 09; EM64L-G09RevB.01 | Geometry optimization Minimum | RM06 | 6-31G(D) | - | |||
 | 18-Oct-2022 | /M06_calculations TS2base-1 | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | GENECP | -2361.71110322; Eh | |||
 | 18-Oct-2022 | /M06_calculations Gb | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | GENECP | -2451.82219735; Eh | |||
 | 18-Oct-2022 | /M06_calculations 3b | Xu, Jihong | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31G(D) | -730.891519237; Eh |
Results 461-470 of 569 (Search time: 0.001 seconds).
Discover
Subject