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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 23-Apr-2026 | 05-TrMt-I3 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | B3LYP | SDD 6-31G(D,P) GEN | -26368.8184852; Eh | |||
 | 23-Apr-2026 | 10-TrMt-I6 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | B3LYP | SDD 6-31G(D,P) GEN | -26368.8138617; Eh | |||
 | 23-Apr-2026 | 07-TrMt-I4 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | B3LYP | SDD 6-31G(D,P) GEN | -26368.8079005; Eh | |||
 | 23-Apr-2026 | 04-TrMt-I2 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -26368.8066787; Eh | |||
 | 23-Apr-2026 | 09-TrMt-I5 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -26368.7955184; Eh | |||
 | 23-Apr-2026 | 12-TpBr3MAC | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -24288.9866004; Eh | |||
 | 23-Apr-2026 | 21-Bis-C-TS_1-2-Br3 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | B3LYP | SDD 6-31G(D,P) GEN | -48710.7881428; Eh | |||
 | 23-Apr-2026 | 18-CuMAC2-k0-TpBr3 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -24540.8994725; Eh | |||
 | 23-Apr-2026 | 14-Bis-C-TS_1-2-Ms | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization TS | B3LYP | SDD 6-31G(D,P) GEN | -26620.7152687; Eh | |||
 | 23-Apr-2026 | 20-Bis-C-I1-Br3 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Geometry optimization Minimum | B3LYP | SDD 6-31G(D,P) GEN | -48710.7937267; Eh |
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