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. |
---|---|---|---|---|---|---|---|---|---|---|---|
10-Jan-2020 | tma | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-311+G(D,P) | -214.165832179; Eh | ||||
10-Jan-2020 | ts2 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | 6-311+G(D,P) | -2955.97091846; Eh | ||||
10-Jan-2020 | hemicarbonate | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-311+G(D,P) | -2955.98984752; Eh | ||||
10-Jan-2020 | ts2 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | 6-311+G(D,P) | -2955.99937839; Eh | ||||
10-Jan-2020 | ts1 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | 6-311+G(D,P) | -2955.97413196; Eh | ||||
10-Jan-2020 | co2 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-311+G(D,P) | -188.575173688; Eh | ||||
10-Jan-2020 | br_anion | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RM062X | 6-311+G(D,P) | -2574.30981246; Eh | ||||
21-Jun-2019 | /M062X Prev2-model | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | LanL2DZ; 6-311G** | -1014.93017883; Eh | ||||
21-Jun-2019 | /M062X benzofuran2 | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-311G** | -383.593764879; Eh | ||||
21-Jun-2019 | /M062X React | Mateo, Ana | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-311G** | -363.765332212; Eh |
Results 621-630 of 771 (Search time: 0.002 seconds).
Discover
Subject
Method
- 65 RCCSD