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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 3-Feb-2025 | /triplet_(3npi_)_states 8-6MR_carbene_analog(Figure1) | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | UCAM-B3LYP | 6-311+G(D,P) | -551.1028607; Eh | |||
 | 3-Feb-2025 | /singlet_(S_0)_states 15-5MR_carbene_analog_(Figure1) | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) | -212.9175879; Eh | |||
 | 3-Feb-2025 | /singlet_(S_0)_states 23-3MR_carbene_analog_(Figure1) | Escayola, Silvia | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) | -418.3817208; Eh | |||
 | 3-Feb-2025 | /singlet_(S_0)_states 8-6MR_carbene_analog(Figure1) | Escayola, Silvia | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RCAM-B3LYP | 6-311+G(D,P) | -551.225731344; 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 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 | /singlet_(S_0)_states 16-5MR_carbene_analog_(Figure1) | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) | -242.5331135; Eh | |||
 | 3-Feb-2025 | /singlet_(S_0)_states 20-3MR_carbene_analog_(Figure1) | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) | -102.0993429; Eh | |||
 | 3-Feb-2025 | /singlet_(S_0)_states 21-3MR_carbene_analog_(Figure1) | Escayola, Silvia | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RCAM-B3LYP | 6-311+G(D,P) | -131.7031689; 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 |
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