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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 5-May-2023 | /NBO7 dpip_Cu2_OH_TFA3_triplet_NBO7 | Ieritano, Christian | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UwB97XD | DEF2TZVPP | -5826.106907; Eh | |||
| 5-May-2023 | /NBO7 bpnp_Cu2_OH_TFA3_triplet_NBO7 | Ieritano, Christian | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UwB97XD | DEF2TZVPP | -5848.1894839; Eh | |||
 | 9-Oct-2023 | H3Ni4(3e) | Penas, Francesc | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) GEN | -7855.41719405; Eh | |||
 | 9-Oct-2023 | H2Ni4(3e) | Penas, Francesc | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Structure | UwB97XD | LANL2DZ 6-31G(D,P) GEN | -7854.91278931; Eh | |||
 | 9-Oct-2023 | HNi4(1e) | Penas, Francesc | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) GEN | -7854.25390516; Eh | |||
 | 9-Oct-2023 | H4Ni4(3e) | Penas, Francesc | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) GEN | -7855.92493101; Eh | |||
 | 9-Oct-2023 | H4Ni4(2e) | Penas, Francesc | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) GEN | -7855.82806177; Eh | |||
 | 9-Oct-2023 | H2Ni4(1e) | Penas, Francesc | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Structure | UwB97XD | LANL2DZ 6-31G(D,P) GEN | -7854.72136130; Eh | |||
 | 9-Oct-2023 | H3Ni(1e) | Penas, Francesc | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) GEN | -7855.20715928; Eh | |||
 | 9-Oct-2023 | H3Ni4(0e) | Penas, Francesc | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) GEN | -7855.11509186; Eh |
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