Browsing by Author Central, ioChem-BD
Showing results 41 to 60 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 | 000000043 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -570.801987310; Eh | ||||
15-Apr-2017 | 000000044 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -491.081235145; Eh | ||||
15-Apr-2017 | 000000045 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -492.285938679; Eh | ||||
15-Apr-2017 | 000000046 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1252.35668356; Eh | ||||
15-Apr-2017 | 000000047 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -459.737041465; Eh | ||||
15-Apr-2017 | 000000048 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -549.742662138; Eh | ||||
15-Apr-2017 | 000000049 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -420.486220973; Eh | ||||
15-Apr-2017 | 000000050 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -760.293793554; Eh | ||||
15-Apr-2017 | 000000051 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -569.595873676; Eh | ||||
15-Apr-2017 | 000000058 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -381.234767747; Eh | ||||
15-Apr-2017 | 000000059 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -985.532607964; Eh | ||||
15-Apr-2017 | 000000061 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1552.73837882; Eh | ||||
15-Apr-2017 | 000000062 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1686.34570019; Eh | ||||
15-Apr-2017 | 000000063 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -457.111597541; Eh | ||||
15-Apr-2017 | 000000064 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1302.09978905; Eh | ||||
15-Apr-2017 | 000000065 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1300.94378180; Eh | ||||
15-Apr-2017 | 000000066 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1225.81266313; Eh | ||||
15-Apr-2017 | 000000067 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -759.093552854; Eh | ||||
15-Apr-2017 | 000000068 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1556.06124669; Eh | ||||
15-Apr-2017 | 000000069 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -571.730847252; Eh |