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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Jun-2021 | (Ta(NPh)Cp_Cl2)2 | Salom, Antoni | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D,P) GENECP | -1529.08647446; Eh | |||
| 23-Jun-2021 | Ta2H2-two_N-bridge | Salom, Antoni | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D,P) GENECP | -1529.04760950; Eh | |||
| 23-Jun-2021 | Ta2H2-mono_PhNNPh | Salom, Antoni | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D,P) GENECP | -1530.15262654; Eh | |||
| 23-Jun-2021 | Ta2H2-one_N-bridge | Salom, Antoni | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D,P) GENECP | -1530.21281568; Eh | |||
| 23-Jun-2021 | Ta2H2(C5Me4H)2Cl4 | Salom, Antoni | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D,P) GENECP | -878.738358270; Eh | |||
| 23-Jun-2021 | NH_intermediate | Salom, Antoni | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D,P) GENECP | -1530.16457749; Eh | |||
| 23-Jun-2021 | H2 | Salom, Antoni | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | 6-31G(D,P) GENECP | -1.17853938133; Eh | |||
| 23-Jun-2021 | Ta2H2(C5H4SiMe3)2Cl4 | Salom, Antoni | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D,P) GENECP | -810.350390533; Eh | |||
| 23-Jun-2021 | Ta2H2-NN_di | Salom, Antoni | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D,P) GENECP | -1530.19077477; Eh | |||
| 23-Jun-2021 | Ta(NPh)Cp_Cl2 | Salom, Antoni | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | LANL2DZ 6-31G(D,P) GENECP | -764.544447645; Eh |
Results 1-10 of 12 (Search time: 0.0 seconds).