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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
7-May-2024 | c5ab-co3b-s9f | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RwB97XD | SDD 6-31G(D,P) GEN | -1742.74052990; Eh | ||||
7-May-2024 | c5ab-co3c-s15f | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RwB97XD | SDD 6-31G(D,P) GEN | -1742.73493787; Eh | ||||
7-May-2024 | c3ab-cp-f4 | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RwB97XD | SDD 6-31G(D,P) GEN | -1281.33399280; Eh | ||||
7-May-2024 | c3ab-co3a-s13f | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RwB97XD | SDD 6-31G(D,P) GEN | -1742.73563974; Eh | ||||
7-May-2024 | c3ab-co3b-s14f | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | RwB97XD | SDD 6-31G(D,P) GEN | -1742.73613331; Eh |
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- 14 TD-FC