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. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Feb-2025 | /triplet_(3npi_)_states 23-3MR_carbene_analog_(Figure1) | Escayola, Silvia | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | UCAM-B3LYP | 6-311+G(D,P) | -418.2451215; Eh | |||
| 3-Feb-2025 | /triplet_(3npi_)_states 20-3MR_carbene_analog_(Figure1) | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UCAM-B3LYP | 6-311+G(D,P) | -102.0238732; Eh | |||
| 3-Feb-2025 | /triplet_(3npi_)_states 22-3MR_carbene_analog_(Figure1) | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UCAM-B3LYP | 6-311+G(D,P) | -366.683761; Eh | |||
| 3-Feb-2025 | /triplet_(3npi_)_states 21-3MR_carbene_analog_(Figure1) | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UCAM-B3LYP | 6-311+G(D,P) | -131.5585019; Eh | |||
| 3-Feb-2025 | /triplet_(3npi_)_states 17-5MR_carbene_analog_(Figure1) | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UCAM-B3LYP | 6-311+G(D,P) | -477.4728309; Eh | |||
| 3-Feb-2025 | /triplet_(3npi_)_states 18-5MR_carbene_analog_(Figure1) | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UCAM-B3LYP | 6-311+G(D,P) | -529.0224584; Eh | |||
| 3-Feb-2025 | /triplet_(3npi_)_states 19-3MR_carbene_(Figure1) | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UCAM-B3LYP | 6-311+G(D,P) | -115.2025207; Eh | |||
| 3-Feb-2025 | /triplet_(3npi_)_states 15-5MR_carbene_analog_(Figure1) | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UCAM-B3LYP | 6-311+G(D,P) | -212.8387905; Eh | |||
| 3-Feb-2025 | /triplet_(3npi_)_states 16-5MR_carbene_analog_(Figure1) | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UCAM-B3LYP | 6-311+G(D,P) | -242.3144903; Eh | |||
| 3-Feb-2025 | /triplet_(3npi_)_states 10-5MR_carbene_(Figure1) | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | UCAM-B3LYP | 6-311+G(D,P) | -225.9634755; Eh |
Results 1-10 of 46 (Search time: 0.001 seconds).
Discover
Subject
Method
- 23 RCAM-B3LYP
- 23 UCAM-B3LYP