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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
25-Jan-2024 | aimel_067128 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -418.0512574; Eh | ||||
25-Jan-2024 | aimel_067123 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -436.6597501; Eh | ||||
25-Jan-2024 | aimel_067133 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -421.9281244; Eh | ||||
25-Jan-2024 | aimel_067135 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -421.9299124; Eh | ||||
25-Jan-2024 | aimel_067126 | Cortes Guzman, Fernando | Gaussian; 16; EM64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -366.1091129; Eh | ||||
25-Jan-2024 | aimel_067124 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -350.0859361; Eh | ||||
25-Jan-2024 | aimel_065965 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -423.1630346; Eh | ||||
25-Jan-2024 | aimel_067250 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -421.8627893; Eh | ||||
25-Jan-2024 | aimel_065964 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -403.2922864; Eh | ||||
25-Jan-2024 | aimel_067262 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -386.000394; Eh |
Results 2421-2430 of 2492 (Search time: 0.003 seconds).
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- 2492 Atomic property
- 2492 Benchmark
- 2492 Dipole
- 2492 QTAIM
- 2492 Quadrupole
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