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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 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 | ||||
| 23-Apr-2026 | 63-TpBrCF32Cu-MAC | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | B3LYP | SDD 6-31G(D,P) GEN | -10886.3806712; Eh | ||||
| 23-Apr-2026 | 61-TpBrCF32Cu-NCMe | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -10767.2382075; Eh | ||||
| 23-Apr-2026 | 60-TpiPr2Cu-MAC | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | B3LYP | SDD 6-31G(D,P) GEN | -1859.57427477; Eh | ||||
| 23-Apr-2026 | 59-TpiPr2Cu-NCMe | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | B3LYP | SDD 6-31G(D,P) GEN | -1740.44244276; Eh | ||||
| 23-Apr-2026 | 62-TpBrCF32Cu | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -10634.4322514; Eh |
Results 7141-7150 of 103529 (Search time: 0.007 seconds).
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Subject
- 13599 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4250 Electrochemical CO₂ reduction
- 4232 Conformation analysis
- 4232 N-Oxides
- 3932 Copper
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