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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
10-Apr-2017 | 000002650 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2500.37174196; Eh | ||||
10-Apr-2017 | 000002663 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1245.47166851; Eh | ||||
10-Apr-2017 | 000002640 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2397.34294259; Eh | ||||
10-Apr-2017 | 000002624 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2680.75303906; Eh | ||||
10-Apr-2017 | 000002607 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1298.03381334; Eh | ||||
10-Apr-2017 | 000002608 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1208.67989676; Eh | ||||
10-Apr-2017 | 000002679 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1768.13961006; Eh | ||||
10-Apr-2017 | 000002606 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -569.984872432; Eh | ||||
10-Apr-2017 | 000002618 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2473.05051504; Eh | ||||
10-Apr-2017 | 000002626 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2533.34560588; Eh | ||||
10-Apr-2017 | 000002609 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1901.78243177; Eh | ||||
10-Apr-2017 | 000002603 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1024.11460478; Eh | ||||
10-Apr-2017 | 000002599 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -625.099595610; Eh | ||||
10-Apr-2017 | 000002600 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -778.733418017; Eh | ||||
10-Apr-2017 | 000002635 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2685.35773347; Eh | ||||
10-Apr-2017 | 000002602 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -796.397009672; Eh | ||||
10-Apr-2017 | 000002598 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -759.382906659; Eh | ||||
10-Apr-2017 | 000002597 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1104.36341080; Eh | ||||
10-Apr-2017 | 000002596 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -657.763301353; Eh | ||||
10-Apr-2017 | 000002627 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2724.12656063; Eh |