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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 24-Jun-2019 | Mo-ts-13-9 | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** GENECP | -2381.62075659; Eh | |||
 | 18-Mar-2019 | Protonation_with_trimethylphenol | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** | -674.690879784; Eh | |||
 | 18-Mar-2019 | Deprotonation_with_triphenylguanidine | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** | -1147.45733171; Eh | |||
 | 18-Mar-2019 | Concerted_ax_proton_transfer_with_tbd | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** | -840.650658407; Eh | |||
 | 18-Mar-2019 | Direct_eq_proton_transfer | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** | -402.047902201; Eh | |||
 | 18-Mar-2019 | FeN_assisted_CN_cleavage | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** | -2238.41661772; Eh |
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