Browsing by Author Central, ioChem-BD
Showing results 61 to 80 of 192292
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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
15-Apr-2017 | 000000070 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -459.737589923; Eh | ||||
15-Apr-2017 | 000000071 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -608.846490963; Eh | ||||
15-Apr-2017 | 000000072 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -570.568681629; Eh | ||||
15-Apr-2017 | 000000073 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2096.73884649; Eh | ||||
15-Apr-2017 | 000000075 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -248.148340459; Eh | ||||
15-Apr-2017 | 000000077 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -649.303768870; Eh | ||||
15-Apr-2017 | 000000078 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -782.709106930; Eh | ||||
15-Apr-2017 | 000000079 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -340.053655192; Eh | ||||
15-Apr-2017 | 000000080 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -646.885314498; Eh | ||||
15-Apr-2017 | 000000081 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1366.75539753; Eh | ||||
15-Apr-2017 | 000000082 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1480.91767721; Eh | ||||
15-Apr-2017 | 000000083 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -834.005108907; Eh | ||||
15-Apr-2017 | 000000085 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -555.842457328; Eh | ||||
15-Apr-2017 | 000000086 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -550.726677529; Eh | ||||
15-Apr-2017 | 000000087 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -382.437591457; Eh | ||||
15-Apr-2017 | 000000089 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -797.699932759; Eh | ||||
15-Apr-2017 | 000000091 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -573.921333543; Eh | ||||
15-Apr-2017 | 000000092 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1110.19368225; Eh | ||||
15-Apr-2017 | 000000093 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -608.860368239; Eh | ||||
15-Apr-2017 | 000000095 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -760.297450909; Eh |