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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Oct-2023 | H3Ni4(2e) | Penas, Francesc | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) GEN | -7855.33970453; Eh | |||
 | 9-Oct-2023 | H2Ni4(2e) | Penas, Francesc | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) GEN | -7854.83994669; Eh | |||
 | 9-Oct-2023 | H2Ni4(0e) | Penas, Francesc | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) GEN | -7854.64661356; Eh | |||
 | 9-Oct-2023 | HNi4(0e) | Penas, Francesc | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) GEN | -7854.16299176; Eh | |||
 | 9-Oct-2023 | Ni4(2e) | Penas, Francesc | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) GEN | -7853.82067940; Eh | |||
 | 9-Oct-2023 | Ni4(0e) | Penas, Francesc | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) GEN | -7853.67551210; Eh | |||
 | 9-Oct-2023 | RuIIbpy3_e | Penas, Francesc | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | UwB97XD | LANL2DZ 6-31G(D,P) GEN | -1579.56170257; Eh | |||
 | 9-Jan-2024 | JohnPhos_catalyst | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | GEN | -1715.638202; Eh | |||
 | 9-Jan-2024 | Cat1 | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | GEN | -2389.5782608; Eh | |||
 | 9-Jan-2024 | Cat3 | Kiriakidi, Sofia | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | UwB97XD | GEN | -2013.2657503; Eh |
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