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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jul-2019 | /pm7/propylene_carbonate ts2 | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | - | VSTO-6G ZDO | -0.360386793601; Eh | |||
| 24-Jul-2019 | /pm7/toluene hemicarbonate | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | - | VSTO-6G ZDO | -0.354651849690; Eh | |||
| 24-Jul-2019 | /pm7/toluene br_anion | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | - | VSTO-6G ZDO | -0.146559693852; Eh | |||
| 24-Jul-2019 | /pm7/toluene tma | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | - | VSTO-6G ZDO | 0.159430389107; Eh | |||
| 24-Jul-2019 | /pm7/toluene co2 | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | - | VSTO-6G ZDO | -0.134770358358; Eh | |||
| 24-Jul-2019 | /pm7/toluene propylene_oxide | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | - | VSTO-6G ZDO | - | |||
| 24-Jul-2019 | /pm7/toluene tmabr | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | - | VSTO-6G ZDO | - | |||
| 24-Jul-2019 | /pm7/toluene ts1 | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | - | VSTO-6G ZDO | -0.298661818926; Eh | |||
| 24-Jul-2019 | /pm7/toluene ts2 | Garay Ruiz, Diego | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | - | VSTO-6G ZDO | -0.333409097173; Eh | |||
 | 26-Sep-2016 | /Copper ATS1_A | Besora, Maria | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB97D | 6-31g(d); lanl2dz | -1854.82813567; Eh |
Results 841-850 of 2450 (Search time: 0.001 seconds).
Discover
Subject