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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-co3c | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1742.73806225; Eh | |||
 | 7-May-2024 | c3ab-co3a | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1742.73556608; Eh | |||
 | 18-Apr-2024 | uracil+4H2O_tdwb_ccpVDZ_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD; TD-FC | CC-PVDZ | -720.4424867; Eh | |||
 | 18-Apr-2024 | uracil+4H2O_tdwb_pc1_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD; TD-FC | GEN | -720.2806112; Eh | |||
 | 18-Apr-2024 | uracil+4H2O_tdwb_tzvp_smd | Pearce, Harrison | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization Minimum | RwB97XD; TD-FC | TZVP | -720.6846902; Eh | |||
 | 7-May-2024 | carb-cl | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RwB97XD | SDD 6-31G(D,P) GEN | -1386.94672175; Eh | |||
 | 7-May-2024 | accl-ms | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RwB97XD | SDD 6-31G(D,P) GEN | -1189.28810719; Eh | |||
 | 7-May-2024 | dichloride | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RwB97XD | SDD 6-31G(D,P) GEN | -1421.06327820; Eh | |||
 | 7-May-2024 | cat | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RwB97XD | SDD 6-31G(D,P) GEN | -728.916761899; Eh | |||
 | 7-May-2024 | furan-dg | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | RwB97XD | 6-31G(D,P) | -552.410235798; Eh |
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