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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
28-Jan-2019 | Sys2_T4 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1741.07092496; Eh | ||||
28-Jan-2019 | Sys2_T5 | Fianchini, Mauro | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | - | -1741.06517107; Eh | ||||
24-Feb-2020 | /SupportingStructures/Profiles/M062X/TS TS1NW_M062X | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | CC-PVTZ | -849.570728090; Eh | ||||
24-Feb-2020 | /SupportingStructures/Profiles/M062X/TS TS2WW_M062X | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | CC-PVTZ | -712.208001020; Eh | ||||
24-Feb-2020 | /SupportingStructures/Profiles/M062X/TS TS2NW_M062X | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | CC-PVTZ | -849.544602974; Eh | ||||
24-Feb-2020 | /SupportingStructures/Profiles/M062X/TS TS1N_M062X | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | CC-PVTZ | -773.111183423; Eh | ||||
24-Feb-2020 | /SupportingStructures/Profiles/M062X/TS TS1W_M062X | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | CC-PVTZ | -635.778030436; Eh | ||||
24-Feb-2020 | /SupportingStructures/Profiles/M062X/TS TS2W_M062X | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | CC-PVTZ | -635.744335518; Eh | ||||
24-Feb-2020 | /SupportingStructures/Profiles/M062X/TS TS1_M062X | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | CC-PVTZ | -559.303735448; Eh | ||||
24-Feb-2020 | /SupportingStructures/Profiles/M062X/TS TS2_M062X | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | CC-PVTZ | -559.275113896; Eh |
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- 155 Gaussian