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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 Transition_state_TS6 | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | UM06L | DEF2TZVP DEF2SVP GEN | -3136.53087938; 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 | /Electronic_structure COF-Co_doublet_M06-L | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | UM06L | DEF2TZVP DEF2SVP GEN | -2528.58873168; 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/Other Transition_state_TS9 | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | UM06L | DEF2TZVP DEF2SVP GEN | -3136.50842257; 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 | |||
 | 22-Aug-2022 | /Gaussian 9 | von Wolff, Niklas | Gaussian; 16; AM64L-G16RevC.01 | Geometry optimization Minimum | UM06L | DEF2SVP DEF2SVP/W06 | -1558.22593777; Eh | |||
 | 22-Aug-2022 | /Gaussian 8 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UM06L | DEF2SVP DEF2SVP/W06 | -1403.28607758; Eh | |||
 | 22-Aug-2022 | /Gaussian 6 | von Wolff, Niklas | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | UM06L | DEF2SVP DEF2SVP/W06 | -1404.02223640; Eh |
Results 641-650 of 664 (Search time: 0.002 seconds).