Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 26-Dec-2022 | /dispersion_interaction/pro-R TS_opt | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -2882.57192247; Eh | |||
 | 26-Dec-2022 | /other_bases/DABCO DABCO-proR-1-lowest | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -2856.85572566; Eh | |||
 | 26-Dec-2022 | /other_bases/NMeMor NMeMor-proS-1-lowest | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -2838.62999266; Eh | |||
 | 26-Dec-2022 | /other_bases/NMeMor NMeMor-proR-3 | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -2838.62500366; Eh | |||
 | 26-Dec-2022 | /other_bases/DABCO DABCO-proR-2 | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -2856.85483400; Eh | |||
 | 26-Dec-2022 | /other_bases/DABCO DABCO-proS-1 | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -2856.85698155; Eh | |||
 | 26-Dec-2022 | /other_bases/NMeMor NMeMor-proS-3 | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -2838.62497701; Eh | |||
 | 26-Dec-2022 | /other_bases/NMeMor NMeMor-proS-2 | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -2838.62999270; Eh | |||
 | 26-Dec-2022 | /mechanism_and_profile/TS1 TS1 | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -2290.29466670; Eh | |||
 | 26-Dec-2022 | /mechanism_and_profile/TS2 TS2 | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -2290.28051385; Eh |
Results 1-10 of 29 (Search time: 0.002 seconds).