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. |
---|---|---|---|---|---|---|---|---|---|---|---|
24-Feb-2020 | /SupportingStructures/Benchmark/m062x TS2WW | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM062X | 6-31+G(D,P) | -711.975998603; Eh | ||||
24-Feb-2020 | /SupportingStructures/Benchmark/wb97xd TS2N | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31+G(D,P) | -772.997156072; Eh | ||||
24-Feb-2020 | /SupportingStructures/Benchmark/wb97xd TS2W | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31+G(D,P) | -635.651926870; Eh | ||||
24-Feb-2020 | /SupportingStructures/Benchmark/wb97xd TS2 | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31+G(D,P) | -559.201735176; Eh | ||||
24-Feb-2020 | /SupportingStructures/Benchmark/wb97xd TS2NW | Pérez-Soto, Raúl | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RwB97XD | 6-31+G(D,P) | -849.441885929; Eh | ||||
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 |
Results 81-90 of 114 (Search time: 0.002 seconds).
Discover
Subject
Program name
- 114 Gaussian