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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
21-Feb-2022 | TSInt1-2a_2Br | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31G* SDD LANL2DZ GENECP | -3585.99715879; Eh | ||||
21-Feb-2022 | TSInt1-2a_2Me | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31G* SDD GENECP | -3639.43033644; Eh | ||||
21-Feb-2022 | TSInt1-2b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31G* SDD GENECP | -3560.78855059; Eh | ||||
21-Feb-2022 | Int2b | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31G* SDD GENECP | -3560.80112958; Eh | ||||
21-Feb-2022 | Int2a_pCl | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31G* SDD LANL2DZ GENECP | -3575.19463318; Eh | ||||
21-Feb-2022 | Int2a_2Br | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31G* SDD LANL2DZ GENECP | -3586.01409975; Eh | ||||
21-Feb-2022 | Int2a_2Me | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31G* SDD GENECP | -3639.44511608; Eh | ||||
21-Feb-2022 | G | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31G* SDD GENECP | -3131.13737534; Eh | ||||
21-Feb-2022 | 7j | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31G* LANL2DZ GENECP | -904.423049858; Eh | ||||
21-Feb-2022 | 7r | Escofet, Imma | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RBP86 | 6-31G* LANL2DZ GENECP | -915.244818514; Eh |
Results 1-10 of 31 (Search time: 0.001 seconds).