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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 15-Jun-2017 | 000083660 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -499.552801093; Eh | |||
![]() | 15-Jun-2017 | 000083651 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -570.540848855; Eh | |||
![]() | 15-Jun-2017 | 000083655 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -744.283755972; Eh | |||
![]() | 15-Jun-2017 | 000083653 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -744.282195157; Eh | |||
![]() | 10-Apr-2017 | 000002690 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1308.04834695; Eh | |||
![]() | 15-Jun-2017 | 000083661 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -582.505728580; Eh | |||
![]() | 17-Jun-2017 | 000086598 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1218.20430393; Eh | |||
![]() | 10-Apr-2017 | 000002726 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1625.59907309; Eh | |||
![]() | 10-Apr-2017 | 000002688 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2025.18831178; Eh | |||
![]() | 17-Jun-2017 | 000086553 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -667.144079924; Eh |
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