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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
15-Apr-2017 | 000000031 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1065.21047194; Eh | ||||
15-Apr-2017 | 000000032 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -720.845570897; Eh | ||||
15-Apr-2017 | 000000033 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -612.995587088; Eh | ||||
15-Apr-2017 | 000000034 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -614.208224200; Eh | ||||
15-Apr-2017 | 000000035 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -991.868195555; Eh | ||||
15-Apr-2017 | 000000036 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -649.303454246; Eh | ||||
15-Apr-2017 | 000000037 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -685.144385310; Eh | ||||
15-Apr-2017 | 000000038 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -534.870193114; Eh | ||||
15-Apr-2017 | 000000039 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -458.532395536; Eh | ||||
15-Apr-2017 | 000000040 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -611.191628533; Eh | ||||
15-Apr-2017 | 000000041 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -1424.88792437; Eh | ||||
15-Apr-2017 | 000000042 | Central, ioChem-BD | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RPBEPBE | - | -799.345442869; Eh | ||||
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 |