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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_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_T9 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1939.58571273; Eh | ||||
28-Jan-2019 | Sys1_T3 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1658.78579950; Eh | ||||
28-Jan-2019 | Sys1_T4 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1549.33564186; Eh | ||||
28-Jan-2019 | Sys1_T5 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1549.33220187; Eh | ||||
28-Jan-2019 | Sys2_T1 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1850.50685509; Eh | ||||
28-Jan-2019 | Sys2_T2 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1850.51909049; Eh | ||||
28-Jan-2019 | Sys2_T3 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1850.52125169; Eh |
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