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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
10-Apr-2017 | 000002708 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1669.07364101; Eh | ||||
10-Apr-2017 | 000002719 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1324.55630989; Eh | ||||
10-Apr-2017 | 000002707 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1608.09727147; Eh | ||||
10-Apr-2017 | 000002710 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1266.85737558; Eh | ||||
10-Apr-2017 | 000002704 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -702.190513582; Eh | ||||
10-Apr-2017 | 000002701 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1164.93679509; Eh | ||||
10-Apr-2017 | 000002700 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -932.897470399; Eh | ||||
10-Apr-2017 | 000002690 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1308.04834695; Eh | ||||
10-Apr-2017 | 000002689 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1175.12092590; Eh | ||||
10-Apr-2017 | 000002688 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2025.18831178; Eh | ||||
10-Apr-2017 | 000002687 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -934.833757795; Eh | ||||
10-Apr-2017 | 000002684 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -918.500331609; Eh | ||||
10-Apr-2017 | 000002683 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -876.331784251; Eh | ||||
10-Apr-2017 | 000002682 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -704.336320894; Eh | ||||
10-Apr-2017 | 000002692 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1196.61858001; Eh | ||||
10-Apr-2017 | 000002677 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -748.114851644; Eh | ||||
10-Apr-2017 | 000002702 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1164.56921681; Eh | ||||
10-Apr-2017 | 000002703 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1164.94457127; Eh | ||||
10-Apr-2017 | 000002680 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1015.97603451; Eh | ||||
10-Apr-2017 | 000002673 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1482.82762626; Eh |