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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 9-Jun-2025 | vii10_Oct_OSO3Bu4N | López-Coll, Ricard | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | -1.70637026455; Eh | |||
 | 31-Mar-2025 | H_08_spe | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UwB97XD | DEF2TZVPP | -1000.3445749; Eh | |||
 | 31-Mar-2025 | H_25_spe | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UwB97XD | DEF2TZVPP | -1000.3549704; Eh | |||
 | 31-Mar-2025 | H_19_spe | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UwB97XD | DEF2TZVPP | -1000.3559825; Eh | |||
 | 31-Mar-2025 | H_03_spe | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UwB97XD | DEF2TZVPP | -1000.3622873; Eh | |||
 | 31-Mar-2025 | H_02_spe | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UwB97XD | DEF2TZVPP | -1000.3651408; Eh | |||
 | 31-Mar-2025 | H_32_spe | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVPP | -1000.4456856; Eh | |||
 | 31-Mar-2025 | H_28_spe | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVPP | -1000.4282747; Eh | |||
 | 31-Mar-2025 | H_21_spe | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVPP | -1000.4414886; Eh | |||
 | 31-Mar-2025 | H_18_spe | Sarfraz, Iqra | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UwB97XD | DEF2TZVPP | -1000.36537; Eh |
Results 3071-3080 of 3538 (Search time: 0.004 seconds).