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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Apr-2026 | 41-MAC | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | B3LYP | 6-31G(D,P) GEN | -251.856484867; Eh | |||
 | 23-Apr-2026 | 54-TpBr3Cu-MAC | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -24288.9866004; Eh | |||
 | 23-Apr-2026 | 53-TpBr3Cu-NCMe | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -24169.8474843; Eh | |||
 | 23-Apr-2026 | 57-TpMe2Cu-MAC | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -1387.73130425; Eh | |||
 | 23-Apr-2026 | 51-TpMsCu-MAC | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -2198.93422764; Eh | |||
 | 23-Apr-2026 | 01-TpMsCuMAC | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -2198.93422764; Eh | |||
 | 23-Apr-2026 | 55-TpMe2Cu | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -1135.79570230; Eh | |||
 | 23-Apr-2026 | 52-TpBr3Cu | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -24037.0439213; Eh | |||
 | 23-Apr-2026 | 42-CuMAC | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | B3LYP | SDD 6-31G(D,P) GEN | -449.155000602; Eh | |||
 | 23-Apr-2026 | 48-CuMAC2 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -701.099027858; Eh |
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