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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 19-Mar-2021 | NaFe-1TMP-partial-diss_TS1 | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2712.22227836; Eh | |||
 | 19-Mar-2021 | NaFe-1TMP-Toluene_TS2 | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UwB97XD | LANL2DZ 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2983.73262462; Eh | |||
 | 16-Mar-2023 | /Anisole-alternative-TSs Na-anisol-BR2-2nd-prod_NEW2_fix-ts | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2225.4716421; Eh | |||
 | 23-Dec-2023 | /CoTMP2_pathways/explicit-noncoordinating-THF I1Co | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | UwB97XD | LANL2DZ 6-31G(D,P) 6-31+G(D,P) GEN | -1922.64717346; Eh |
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