Browsing by Author Central, ioChem-BD
Showing results 81 to 100 of 192292
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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
15-Apr-2017 | 000000096 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -381.244739419; Eh | ||||
15-Apr-2017 | 000000098 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -739.953344655; Eh | ||||
15-Apr-2017 | 000000101 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -420.246940463; Eh | ||||
15-Apr-2017 | 000000102 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -421.437960394; Eh | ||||
15-Apr-2017 | 000000104 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -532.493715084; Eh | ||||
15-Apr-2017 | 000000105 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -984.307059408; Eh | ||||
15-Apr-2017 | 000000106 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -965.674891441; Eh | ||||
15-Apr-2017 | 000000107 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -498.776715779; Eh | ||||
16-Apr-2017 | 000000108 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -475.545986458; Eh | ||||
15-Apr-2017 | 000000109 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -871.516347160; Eh | ||||
15-Apr-2017 | 000000110 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -890.162039333; Eh | ||||
15-Apr-2017 | 000000111 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -491.856357582; Eh | ||||
15-Apr-2017 | 000000112 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1098.23561474; Eh | ||||
15-Apr-2017 | 000000113 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1098.70719547; Eh | ||||
15-Apr-2017 | 000000114 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -554.052172266; Eh | ||||
15-Apr-2017 | 000000116 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -817.488570351; Eh | ||||
15-Apr-2017 | 000000117 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -469.588721734; Eh | ||||
15-Apr-2017 | 000000118 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -287.399765221; Eh | ||||
15-Apr-2017 | 000000119 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -362.577712057; Eh | ||||
15-Apr-2017 | 000000120 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -531.290880117; Eh |