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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
8-Sep-2023 | dsty-ccbb | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.784617258; Eh | ||||
8-Sep-2023 | dsty-ccab | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.781929202; Eh | ||||
8-Sep-2023 | dsty-ccac | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.781327786; Eh | ||||
8-Sep-2023 | dsty-ccbc | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.782649879; Eh | ||||
8-Sep-2023 | dsty-ccba | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.782837657; Eh | ||||
8-Sep-2023 | dsty-ccaa | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.783121983; Eh | ||||
8-Sep-2023 | dsty-cbcb | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.781989125; Eh | ||||
8-Sep-2023 | dsty-cbcc | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.779047488; Eh | ||||
8-Sep-2023 | dsty-aabc | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.782649820; Eh | ||||
8-Sep-2023 | dsty-aaab | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.782400839; Eh |
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