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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_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 | |||
 | 13-Jun-2022 | /Reaction_mechanism Alkylborane | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM06L | DEF2SVP GEN | -607.928246530; Eh | |||
 | 14-Oct-2022 | /Si-H_vibrations II | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | SDD 6-31+G(D,P) 6-31G(D,P) GEN | -1639.13138004; Eh | |||
 | 14-Oct-2022 | /Si-H_vibrations Silane | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RB3LYP | 6-31+G(D,P) 6-31G(D,P) GEN | -635.636500314; Eh | |||
 | 14-Oct-2022 | /Si-H_vibrations III | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UB3LYP | SDD 6-31+G(D,P) 6-31G(D,P) GEN | -1639.12818576; Eh | |||
 | 1-Jul-2022 | /Complexes 2b | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -1709.60775274; Eh | |||
 | 1-Jul-2022 | /Complexes 2d-1 | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RM062X | 6-31G** 6-31+G* GEN | -1155.22703159; Eh |
Results 41-50 of 55 (Search time: 0.002 seconds).