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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 23-Apr-2026 | 00-TpBr3CuNCMe | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -24169.8474843; Eh | ||||
| 23-Apr-2026 | 11-TpMsCuMAC-NCMe | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | B3LYP | SDD 6-31G(D,P) GEN | -2331.70529391; Eh | ||||
| 23-Apr-2026 | 03-TrMt-TS_1-2 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -26368.7963760; Eh | ||||
| 23-Apr-2026 | 06-TrMt-TS_3-4 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevC.02 | Single point Structure | B3LYP | SDD 6-31G(D,P) GEN | -26368.8064909; Eh | ||||
| 23-Apr-2026 | 02-TrMt-I1 | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | B3LYP | SDD 6-31G(D,P) GEN | -26368.8072823; Eh | ||||
| 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 |
Results 7091-7100 of 103529 (Search time: 0.006 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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