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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 29-Oct-2025 | /S2F/SF2_opt f2_1ts1o | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | 6-31G(D,P) GEN | -1317.83678992; Eh | ||||
| 29-Oct-2025 | /S2F/S2F_sp f2_1int3oa | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -1318.1790033; Eh | ||||
| 29-Oct-2025 | /S2F/S2F_sp f2_1ts3oa | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -1318.1400598; Eh | ||||
| 29-Oct-2025 | /S2F/S2F_sp f2_1ts4oa | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -1318.1730932; Eh | ||||
| 29-Oct-2025 | /S2F/S2F_sp f2_1ts4ob | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -1318.134126; Eh | ||||
| 29-Oct-2025 | /S2F/S2F_sp f2_1int4o | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -1318.205526; Eh | ||||
| 29-Oct-2025 | /S2F/S2F_sp f2_1int1o | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -1318.129422; Eh | ||||
| 29-Oct-2025 | /S2F/S2F_sp f2_1ts1n | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -1318.1178077; Eh | ||||
| 29-Oct-2025 | /S2F/SF2_opt f2_1int3oa | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) GEN | -1317.90305853; Eh | ||||
| 29-Oct-2025 | /S2F/SF2_opt f2_1ts3oa | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) GEN | -1317.85900142; Eh |
Results 2381-2390 of 2578 (Search time: 0.002 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
Calculation type