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-Jun-2019 | H2 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GEN | -1.16908755242; Eh | ||||
24-Jun-2019 | Mo-ts-6-7-K | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2703.54009697; Eh | ||||
24-Jun-2019 | N-methylformanilide-trans | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GEN | -439.965178533; Eh | ||||
24-Jun-2019 | N-methylformanilide-cis | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GEN | -439.968611501; Eh | ||||
24-Jun-2019 | Mo-4 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2487.88170303; Eh | ||||
24-Jun-2019 | Mo-10 | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GENECP | -2225.51276459; Eh | ||||
24-Jun-2019 | Ethanol | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** GEN | -154.952432732; Eh | ||||
10-May-2019 | Concerted_proton_transfer_with_morpholine | Artus Suarez, Lluis | Gaussian; 09; ES64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** | -537.165584059; Eh | ||||
10-May-2019 | Morpholine | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RM06 | 6-31+G** | -287.626189587; Eh | ||||
18-Mar-2019 | Deprotonation_with_trimethylphenol | Artus Suarez, Lluis | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization TS | RM06 | 6-31+G** | -674.685327185; Eh |
Results 61-70 of 219 (Search time: 0.001 seconds).
Discover
Subject