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. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 21-Apr-2017 | 000015879 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -918.903464540; Eh | |||
![]() | 21-Apr-2017 | 000015943 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -895.475727874; Eh | |||
![]() | 21-Apr-2017 | 000015885 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -783.521432101; Eh | |||
![]() | 21-Apr-2017 | 000013164 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -541.579007305; Eh | |||
![]() | 21-Apr-2017 | 000013176 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -271.056259984; Eh | |||
![]() | 22-Apr-2017 | 000017753 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -867.420134555; Eh | |||
![]() | 22-Apr-2017 | 000017755 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -346.503059923; Eh | |||
![]() | 22-Apr-2017 | 000017756 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -347.701718378; Eh | |||
![]() | 22-Apr-2017 | 000017754 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -349.582978469; Eh | |||
![]() | 21-Apr-2017 | 000013090 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -819.215619752; Eh |
Results 1-10 of 192292 (Search time: 0.014 seconds).
Discover
Method
- 192292 RPBEPBE