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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
10-Apr-2017 | 000002721 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1573.18049851; Eh | ||||
10-Apr-2017 | 000002666 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1481.66708663; Eh | ||||
10-Apr-2017 | 000002667 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1748.23946511; Eh | ||||
10-Apr-2017 | 000002662 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1666.74035573; Eh | ||||
10-Apr-2017 | 000002655 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1947.54132635; Eh | ||||
10-Apr-2017 | 000002653 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2433.78791622; Eh | ||||
10-Apr-2017 | 000002675 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2213.17462513; Eh | ||||
10-Apr-2017 | 000002654 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2044.78264971; Eh | ||||
10-Apr-2017 | 000002659 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1836.27633097; Eh | ||||
10-Apr-2017 | 000002678 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1608.83826635; Eh | ||||
10-Apr-2017 | 000002646 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1634.09117205; Eh | ||||
10-Apr-2017 | 000002669 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1784.65756643; Eh | ||||
10-Apr-2017 | 000002647 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1557.94629555; Eh | ||||
10-Apr-2017 | 000002709 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2210.84012307; Eh | ||||
10-Apr-2017 | 000002772 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2276.37956792; Eh | ||||
10-Apr-2017 | 000002660 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2142.38920475; Eh | ||||
10-Apr-2017 | 000002632 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2214.39956214; Eh | ||||
10-Apr-2017 | 000002634 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -3118.55111056; Eh | ||||
10-Apr-2017 | 000002638 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2105.07397956; Eh | ||||
10-Apr-2017 | 000002685 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1783.96544286; Eh |