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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 13-Jun-2022 | /Reaction_mechanism Intermediate_4 | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06L | DEF2TZVP DEF2SVP GEN | -3136.55996072; Eh | |||
 | 13-Jun-2022 | /Reaction_mechanism Intermediate_7 | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06L | DEF2TZVP DEF2SVP GEN | -3136.54804938; Eh | |||
 | 13-Jun-2022 | /Electronic_structure COF-Co_quartet_M06-L | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06L | DEF2TZVP DEF2SVP GEN | -2528.59002137; Eh | |||
 | 13-Jun-2022 | /Reaction_mechanism Intermediate_6 | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06L | DEF2TZVP DEF2SVP GEN | -3136.53584576; Eh | |||
 | 13-Jun-2022 | /Reaction_mechanism Transition_state_TS5 | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06L | DEF2TZVP DEF2SVP GEN | -3136.52593424; Eh | |||
 | 21-Dec-2023 | Cu-1 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06L | SDD 6-31G(D,P) GEN | -7040.05049131; Eh | |||
 | 21-Dec-2023 | Cu-2 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06L | SDD 6-31G(D,P) GEN | -7040.03801439; Eh | |||
 | 21-Dec-2023 | Cu-4 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06L | SDD 6-31G(D,P) GEN | -7040.03466139; Eh | |||
 | 21-Dec-2023 | Cu-3 | Le, Hiep | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UM06L | SDD 6-31G(D,P) GEN | -7040.04150690; Eh |
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