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. |
---|---|---|---|---|---|---|---|---|---|---|---|
5-Oct-2017 | 000092797 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1296.33423995; Eh | ||||
8-Aug-2017 | 000113722 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1077.70873422; Eh | ||||
8-Aug-2017 | 000113649 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1338.27529428; Eh | ||||
31-Aug-2017 | 000157233 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1209.66451967; Eh | ||||
31-Aug-2017 | 000157232 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2117.98054487; Eh | ||||
31-Aug-2017 | 000157230 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1220.05891870; Eh | ||||
8-Aug-2017 | 000113599 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -723.746228488; Eh | ||||
8-Aug-2017 | 000113587 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1486.31722583; Eh | ||||
8-Aug-2017 | 000113567 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1381.15453352; Eh | ||||
8-Aug-2017 | 000113555 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -804.085530544; Eh |
Results 81-90 of 192292 (Search time: 0.014 seconds).
Discover
Calculation type
Method
- 192292 RPBEPBE