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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 18-Mar-2022 | PW12-2e | Solé-Daura, Albert | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Structure | UwB97XD | GEN | -4166.87664205; Eh | |||
 | 6-Aug-2022 | /reaction_profile NaCo_TS-fix-ts-disp-f-tightb-reopt | Mu, Manting | Gaussian; 09; EM64L-G09RevA.02 | Geometry optimization Structure | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -3655.40022351; 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 | H2Ni4(1e) | Penas, Francesc | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Structure | UwB97XD | LANL2DZ 6-31G(D,P) GEN | -7854.72136130; Eh |
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