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| Collection Name |
|---|
| Mecanochemical 17O Enrichment of Polyoxometalates |
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Apr-2026 | II | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBEPBE | SDD 6-31G** GENECP | -2994.09157477; Eh | |||
| 9-Apr-2026 | TS6 | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBEPBE | SDD 6-31G** GENECP | -2996.38709491; Eh | |||
| 9-Apr-2026 | H2 | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RPBEPBE | 6-31G** GEN | -1.16466336025; Eh | |||
| 9-Apr-2026 | TS4-h2o | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RPBEPBE | SDD 6-31G** GENECP | -2962.20227938; Eh |
Results 2831-2835 of 2835 (Search time: 0.001 seconds).
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Subject
- 218 Polyoxometalates
- 116 Adsorption
- 91 Fullerenes
- 77 Boron
- 77 Vanadium
- 68 Protonation
- 68 Vanadates
- 61 Bioinorganic chemistry
- 61 Biological activity
- 58 Epoxidation
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Date issued
- 3 2016