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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Apr-2026 | 35-IPr-I2 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -11927.4869510; Eh | |||
 | 23-Apr-2026 | 32-IPr | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | B3LYP | 6-31G(D,P) GEN | -1160.17522623; Eh | |||
 | 23-Apr-2026 | 40-IPr-I5 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | B3LYP | SDD 6-31G(D,P) GEN | -13087.7131679; Eh | |||
 | 23-Apr-2026 | 50-TpMsCu-NCMe | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -2079.79209932; Eh | |||
 | 23-Apr-2026 | 47-TpBrCF32 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | B3LYP | 6-31G(D,P) GEN | -10437.1388207; Eh | |||
 | 23-Apr-2026 | 49-TpMsCu | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -1946.98627665; Eh | |||
 | 23-Apr-2026 | 46-TpiPr2 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | B3LYP | 6-31G(D,P) GEN | -1410.31360167; Eh | |||
 | 23-Apr-2026 | 45-TpMe2 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | B3LYP | 6-31G(D,P) GEN | -938.474220590; Eh | |||
 | 23-Apr-2026 | 44-TpBr3 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | B3LYP | 6-31G(D,P) GEN | -23839.7506101; Eh | |||
 | 23-Apr-2026 | 43-TpMs | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | B3LYP | 6-31G(D,P) GEN | -1749.65842805; Eh |
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