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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-acca | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.782440795; Eh | ||||
8-Sep-2023 | dsty-acbc | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.782649905; Eh | ||||
8-Sep-2023 | dsty-accb | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.782609261; Eh | ||||
8-Sep-2023 | dsty-baaa | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.777855860; Eh | ||||
8-Sep-2023 | dsty-baab | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.776723709; Eh | ||||
8-Sep-2023 | dsty-baac | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.776318385; Eh | ||||
8-Sep-2023 | dsty-acba | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.783197453; Eh | ||||
8-Sep-2023 | dsty-acbb | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.784617250; Eh | ||||
8-Sep-2023 | dsty-accc | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.779823354; Eh | ||||
8-Sep-2023 | asty | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -309.307660952; Eh |
Results 1-10 of 89 (Search time: 0.001 seconds).