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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 17-Apr-2018 | 000294851 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -916.949600530; Eh | |||
![]() | 17-Apr-2018 | 000294821 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -598.030668982; Eh | |||
![]() | 17-Apr-2018 | 000294775 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1645.97288768; Eh | |||
![]() | 17-Apr-2018 | 000294807 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1247.57243734; Eh | |||
![]() | 17-Apr-2018 | 000294777 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1157.01936962; Eh | |||
![]() | 17-Apr-2018 | 000294834 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -2814.17221034; Eh | |||
![]() | 17-Apr-2018 | 000294791 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1155.11841664; Eh | |||
![]() | 17-Apr-2018 | 000294793 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1450.60705478; Eh | |||
![]() | 17-Apr-2018 | 000294776 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -939.840363048; Eh | |||
![]() | 17-Apr-2018 | 000294745 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -564.466205526; Eh |
Results 192261-192270 of 192292 (Search time: 0.173 seconds).