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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_067350 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -434.1490692; Eh | ||||
25-Jan-2024 | aimel_067362 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -454.0149639; Eh | ||||
25-Jan-2024 | aimel_067357 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -437.9980159; Eh | ||||
25-Jan-2024 | aimel_067361 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -437.9654393; Eh | ||||
25-Jan-2024 | aimel_067349 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -437.9987456; Eh | ||||
25-Jan-2024 | aimel_067355 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -473.8790772; Eh | ||||
25-Jan-2024 | aimel_067358 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -437.9804834; Eh | ||||
25-Jan-2024 | aimel_067359 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -457.8672306; Eh | ||||
25-Jan-2024 | aimel_067939 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -418.1740799; Eh | ||||
25-Jan-2024 | aimel_067912 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -437.9459812; Eh |
Results 2461-2470 of 2492 (Search time: 0.003 seconds).
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Subject
- 2492 Dipole
- 2492 QTAIM
- 2492 Quadrupole
- 2492 Reactivity
Method
- 2492 RB3LYP