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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
28-Jan-2019 | Red_T6 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1864.28402882; Eh | ||||
28-Jan-2019 | Red_I5 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1864.31632491; Eh | ||||
28-Jan-2019 | Red_T7 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1864.28249444; Eh | ||||
28-Jan-2019 | Red_T8 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | - | ||||
28-Jan-2019 | Red_I6 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1939.61833672; Eh | ||||
28-Jan-2019 | Red_T9 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1939.58571273; Eh | ||||
28-Jan-2019 | Sys2_I4 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1741.08593990; Eh | ||||
28-Jan-2019 | Sys1_T3 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1658.78579950; Eh | ||||
28-Jan-2019 | Sys1_T2 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Single point Minimum | RM062X | - | -1658.78156460; Eh | ||||
28-Jan-2019 | Sys1_I1 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM062X | - | -1658.80450655; Eh |
Results 41-50 of 467 (Search time: 0.002 seconds).