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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 6-Nov-2020 | /Cluster-Fe-MOF-74 HSE03-H₂O | Morales-Vidal, Jordi | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | ROHSE2PBE | 6-31G** 6-31+G* GEN | -76.4641418859; Eh | |||
 | 6-Nov-2020 | /Cluster-Fe-MOF-74 HSE03-H₂ | Morales-Vidal, Jordi | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | ROHSE2PBE | 6-31G** GEN | -1.18761439562; Eh | |||
 | 6-Nov-2020 | /Cluster-Fe-MOF-74 HSE03-13-H₂O | Morales-Vidal, Jordi | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | ROHSE2PBE | 6-31G** 6-31+G* GEN | -76.4128444707; Eh | |||
 | 6-Nov-2020 | /Cluster-Fe-MOF-74 HSE03-13-H₂ | Morales-Vidal, Jordi | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | ROHSE2PBE | 6-31G** GEN | -1.17693814700; Eh |
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