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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 21-Feb-2022 | /silane_reactivity TSb | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | UB3LYP | SDD 6-31+G(D,P) 6-31G(D,P) GEN | -1756.79159367; Eh | |||
 | 21-Feb-2022 | /silane_reactivity TSc | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | UB3LYP | SDD 6-31+G(D,P) 6-31G(D,P) GEN | -1871.37847893; Eh | |||
 | 21-Feb-2022 | /silane_reactivity TSa | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | UB3LYP | SDD 6-31+G(D,P) 6-31G(D,P) GEN | -1642.20206882; Eh | |||
 | 21-Feb-2022 | /silane_reactivity TSe | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | UB3LYP | SDD 6-31+G(D,P) 6-31G(D,P) GEN | -1720.85851205; Eh | |||
 | 21-Feb-2022 | /silane_reactivity TSf | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | UB3LYP | SDD 6-31+G(D,P) 6-31G(D,P) GEN | -1796.11762471; Eh | |||
 | 13-Jun-2022 | /Electronic_structure/DFs COF-Co_quartet_B3LYP | Ortuño Maqueda, Manuel Angel | Gaussian; 16; ES64L-G16RevC.01 | Single point Minimum | UB3LYP | DEF2TZVP DEF2SVP GEN | -2528.85785082; Eh |
Results 1-6 of 6 (Search time: 0.001 seconds).