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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 Alkene | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06L | DEF2SVP GEN | -196.357144090; 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 | ||||
13-Jun-2022 | /Reaction_mechanism Borane | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | RM06L | DEF2SVP GEN | -411.513141102; Eh |
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