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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 8-Aug-2017 | 000113496 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -466.414129442; Eh | |||
![]() | 1-Dec-2017 | 000221822 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1314.66735233; Eh | |||
![]() | 17-Oct-2017 | 000189415 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2065.39569654; Eh | |||
![]() | 31-Aug-2017 | 000157201 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1018.84866321; Eh | |||
![]() | 31-Aug-2017 | 000157169 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -934.822188617; Eh | |||
![]() | 31-Aug-2017 | 000157155 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -727.100402697; Eh | |||
![]() | 31-Aug-2017 | 000157211 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -864.692313747; Eh | |||
![]() | 27-Jan-2018 | 000248270 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1003.23323845; Eh | |||
![]() | 31-Aug-2017 | 000157491 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -959.692913906; Eh | |||
![]() | 31-Aug-2017 | 000157139 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -425.976758379; Eh |
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