Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
8-Sep-2023 | dsty-aaaa | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.783897449; Eh | ||||
8-Sep-2023 | csty-ba | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -547.306216010; Eh | ||||
8-Sep-2023 | csty-cb | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -547.306768948; Eh | ||||
8-Sep-2023 | csty-ca | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -547.301927270; Eh | ||||
8-Sep-2023 | csty-cc | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -547.300585080; Eh | ||||
8-Sep-2023 | csty-bc | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -547.306610660; Eh | ||||
8-Sep-2023 | csty-bb | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -547.306778427; Eh | ||||
8-Sep-2023 | dsty-caac | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.781327787; Eh | ||||
8-Sep-2023 | dsty-bccb | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.774834382; Eh | ||||
8-Sep-2023 | dsty-bcba | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RPBE1PBE | 6-31+G(D,P) | -775.778531838; Eh |
Results 21-30 of 89 (Search time: 0.001 seconds).
Discover
Calculation type