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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 29-Oct-2025 | /S8F/S8F_sp f8_1ts3oa | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -3707.46461; Eh | |||
 | 29-Oct-2025 | /S8F/S8F_sp f8_1ts4oa | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -3707.4848854; Eh | |||
 | 29-Oct-2025 | /S8F/S8F_sp f8_1ts2o | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -3707.4289785; Eh | |||
 | 29-Oct-2025 | /S8F/S8F_sp f8_1int1o | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -3707.4334201; Eh | |||
 | 29-Oct-2025 | /S8F/S8F_sp f8_1int2o | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -819.968625; Eh | |||
 | 29-Oct-2025 | /S8F/S8F_sp f8_1ts1n | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -3707.4199679; Eh | |||
 | 29-Oct-2025 | /S9/S9_sp s9_int1o | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -4005.9563275; Eh | |||
 | 29-Oct-2025 | /S8F/S8F_sp sp_ts_f8_newts3oa_3 | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -3707.4583196; Eh | |||
 | 29-Oct-2025 | /S8F/S8F_sp f8_1int3s | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -3707.4702305; Eh | |||
 | 29-Oct-2025 | /S8F/S8F_sp f8_1int3oa | Villares, Mario | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | GEN | -3707.4905848; Eh |
Results 2301-2310 of 2578 (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
Calculation type