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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
26-Nov-2021 | /Circular_Dichroism CD_Center_of_Cluster_7_(R) | Villar-Yanez, Alba | ADF; 2019 | Single point | SAOP | TZP | - | ||||
26-Nov-2021 | /Circular_Dichroism CD_Center_of_Cluster_8_(R) | Villar-Yanez, Alba | ADF; 2019 | Single point | SAOP | TZP | - | ||||
26-Nov-2021 | /Optimized_Structures Center_of_Cluster_4_(R) | Villar-Yanez, Alba | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RB2PLYP-FC | DEF2TZV | -1407.07254703; Eh | ||||
26-Nov-2021 | /Optimized_Structures Center_of_Cluster_5_(R) | Villar-Yanez, Alba | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RB2PLYP-FC | DEF2TZV | -1407.07492476; Eh |
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