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. |
---|---|---|---|---|---|---|---|---|---|---|---|
21-Mar-2023 | /GROUP_B/Singlet 13-1,4-Oxazin-1-ium | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) | -284.4128353; Eh | ||||
21-Mar-2023 | /GROUP_B/Singlet 15-1,4-Dioxindiium | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) | -304.362809; Eh | ||||
21-Mar-2023 | /GROUP_B/Singlet 16-1,3-Dioxindiium | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) | -304.362809; Eh | ||||
21-Mar-2023 | /GROUP_B/Triplet 8-Pyrimidine | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UCAM-B3LYP | 6-311+G(D,P) | -264.1072627; Eh | ||||
21-Mar-2023 | /GROUP_B/Triplet 7-Pyridazine | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UCAM-B3LYP | 6-311+G(D,P) | -264.1123428; Eh | ||||
21-Mar-2023 | /GROUP_B/Singlet 10-1,2-Azaphosphinine | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) | -550.8724745; Eh | ||||
21-Mar-2023 | /GROUP_A/Triplet 4-Silaphenyl_Anion | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UCAM-B3LYP | 6-311+G(D,P) | -482.8651586; Eh | ||||
21-Mar-2023 | /GROUP_A/Triplet 3-Phenyl_Anion | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UCAM-B3LYP | 6-311+G(D,P) | -231.4240018; Eh | ||||
21-Mar-2023 | /GROUP_A/Triplet 6-Thiopyrylium | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UCAM-B3LYP | 6-311+G(D,P) | -591.1989636; Eh | ||||
21-Mar-2023 | /GROUP_B/Singlet 8-Pyrimidine | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) | -264.2589063; Eh |
Results 21-30 of 64 (Search time: 0.001 seconds).
Discover
Subject
- 19 Aromaticity
- 14 Heterocycles
- 14 Photophysics
- 5 Halogens
Method
- 34 RCAM-B3LYP
- 23 UCAM-B3LYP
- 9 TD-FC
- 4 RCCSD
- 2 RB3LYP
- 1 UBLYP