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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jul-2019 | /m062x/toluene propylene_carbonate | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-311+G(D,P) | -381.691733107; Eh | |||
| 24-Jul-2019 | /m062x/toluene hemicarbonate | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-311+G(D,P) | -2955.98984752; Eh | |||
| 24-Jul-2019 | /m062x/toluene co2 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-311+G(D,P) | -188.575173688; Eh | |||
| 24-Jul-2019 | /m062x/toluene br_anion | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Single point TS | RM062X | 6-311+G(D,P) | -2574.30981246; Eh | |||
| 24-Jul-2019 | /m062x/toluene propylene_oxide | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-311+G(D,P) | -193.082230350; Eh | |||
| 24-Jul-2019 | /m062x/toluene tmabr | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-311+G(D,P) | -2788.53420849; Eh | |||
| 24-Jul-2019 | /m062x/toluene ts1 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | 6-311+G(D,P) | -2955.94593729; Eh | |||
| 24-Jul-2019 | /m062x/toluene ts2 | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | 6-311+G(D,P) | -2955.97091846; Eh | |||
| 24-Jul-2019 | /m062x/toluene tma | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-311+G(D,P) | -214.165832179; Eh | |||
| 24-Jul-2019 | /m062x/propylene_carbonate propylene_carbonate | Garay Ruiz, Diego | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | 6-311+G(D,P) | -381.698674101; Eh |
Results 1-10 of 18 (Search time: 0.002 seconds).