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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
14-Nov-2020 | 32-TS1-3a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RBP86 | 6-31G* SDD GENECP | -1560.78135974; Eh | ||||
14-Nov-2020 | 32-TS1-2b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RBP86 | 6-31G* SDD GENECP | -1560.78286990; Eh | ||||
14-Nov-2020 | 32-Int3a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31G* SDD GENECP | -1560.79641003; Eh | ||||
14-Nov-2020 | 32-Int3b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31G* SDD GENECP | -1560.79937715; Eh | ||||
14-Nov-2020 | 32-Int2a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31G* SDD GENECP | -1560.81621241; Eh | ||||
14-Nov-2020 | 32-Int2b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31G* SDD GENECP | -1560.80195382; Eh | ||||
14-Nov-2020 | 32-Int1 | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31G* SDD GENECP | -1560.79016818; Eh | ||||
14-Nov-2020 | 32-TS1-3b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RBP86 | 6-31G* SDD GENECP | -1560.78034047; Eh | ||||
14-Nov-2020 | 32-TS3b-2b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RBP86 | 6-31G* SDD GENECP | -1560.79723704; Eh | ||||
14-Nov-2020 | 32-TS3a-2a | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RBP86 | 6-31G* SDD GENECP | -1560.78909454; Eh |
Results 1-10 of 254 (Search time: 0.001 seconds).