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_116020 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -403.3477457; Eh | |||
![]() | 25-Jan-2024 | aimel_116124 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -456.5318629; Eh | |||
![]() | 25-Jan-2024 | aimel_069043 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -454.0261804; Eh | |||
![]() | 25-Jan-2024 | aimel_069038 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -437.9947416; Eh | |||
![]() | 25-Jan-2024 | aimel_069039 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -457.8851307; Eh | |||
![]() | 25-Jan-2024 | aimel_116130 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -476.3792151; Eh | |||
![]() | 25-Jan-2024 | aimel_116131 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -496.2664801; Eh | |||
![]() | 25-Jan-2024 | aimel_068926 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -424.4005278; Eh | |||
![]() | 25-Jan-2024 | aimel_116239 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -367.4513721; Eh | |||
![]() | 25-Jan-2024 | aimel_068728 | Cortes Guzman, Fernando | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(2DF,P) | -416.8554102; Eh |
Results 61-70 of 2492 (Search time: 0.002 seconds).
Discover
Subject
- 2492 QTAIM
Calculation type