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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Jun-2022 | TSo-nh3-gly | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ GENECP | -1328.000576; Eh | |||
 | 27-Jun-2022 | I4m-gly2 | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ GENECP | -1883.2862287; Eh | |||
 | 27-Jun-2022 | I4o-gly2 | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ GENECP | -1883.2880126; Eh | |||
 | 27-Jun-2022 | TSm-gly2 | Díaz-Ruiz, Marina | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ GENECP | -1883.2579143; Eh | |||
 | 9-Dec-2021 | ch3nh3-c6h5-ts_6311+Gd | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-311+G(D) | -328.088727685; Eh | |||
 | 9-Dec-2021 | ch3nh3-h2o-ts_6311+Gd | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-311+G(D) | -172.754392791; Eh | |||
 | 9-Dec-2021 | ch3nh3-cf3-ts_6311+Gd | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-311+G(D) | -434.165394298; Eh | |||
 | 9-Dec-2021 | ch3nh3-cl-ts_6311+Gd | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-311+G(D) | -556.714213672; Eh | |||
 | 9-Dec-2021 | ch3nh3-cn-ts_6311+Gd | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-311+G(D) | -189.304383826; Eh | |||
 | 9-Dec-2021 | ch3nh3-f-ts_6311+Gd | Morán, Lucía | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-311+G(D) | -196.344264337; Eh |
Results 6181-6190 of 7358 (Search time: 0.009 seconds).