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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 16-Mar-2023 | /LiB-TMP-no-ansiole LiB-lithation_prod | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -1898.39837875; Eh | |||
 | 16-Mar-2023 | /Anisole-alternative-TSs NaB_ts1Conf3 | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2399.74754681; Eh | |||
 | 16-Mar-2023 | /Anisole-alternative-TSs Na-anisol-BR-product-scanCHb-ts2 | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2399.77598208; Eh | |||
 | 16-Mar-2023 | /NaB-TMP-no-ansiole Na-PMDETA-TMP-B-NHscan-ts | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2462.19197155; Eh | |||
 | 16-Mar-2023 | /LiB-TMP-no-ansiole Li-PMDETA-TMP | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -936.970398871; Eh | |||
 | 16-Mar-2023 | /LiB-TMP-no-ansiole Li-PMDETA-TMP-B-NHCH-frozen-ts-b | Mu, Manting | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) 6-31G(D) 6-31+G(D) GEN | -2307.44585904; Eh |
Results 41-46 of 46 (Search time: 0.001 seconds).