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. |
---|---|---|---|---|---|---|---|---|---|---|---|
25-Jan-2024 | aimel_066144 | Cortes Guzman, Fernando | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -404.4876585; Eh | ||||
25-Jan-2024 | aimel_066152 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -388.460603; Eh | ||||
25-Jan-2024 | aimel_066148 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -388.4653678; Eh | ||||
25-Jan-2024 | aimel_066168 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -440.4361774; Eh | ||||
25-Jan-2024 | aimel_066162 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -424.3958671; Eh | ||||
25-Jan-2024 | aimel_066159 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -424.397786; Eh | ||||
25-Jan-2024 | aimel_066165 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -440.459495; Eh | ||||
25-Jan-2024 | aimel_066174 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -460.301181; Eh | ||||
25-Jan-2024 | aimel_066183 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -367.3886291; Eh | ||||
25-Jan-2024 | aimel_066160 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -388.5012833; Eh |
Results 2441-2450 of 2492 (Search time: 0.003 seconds).
Discover
Subject
- 2492 Atomic property
- 2492 Benchmark
- 2492 Dipole
- 2492 QTAIM
- 2492 Quadrupole
- 2492 Reactivity
Program name
- 2492 Gaussian
Calculation type