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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 23-Jul-2026 | 28-TS_c3N-c4N-meta | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | 6-31G* GENECP | -1649.40274983; Eh | ||||
| 23-Jul-2026 | 30-TS_c3N-c4N-para | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | 6-31G* GENECP | -1649.40157271; Eh | ||||
| 23-Jul-2026 | 19-TS_c5A-c6A | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | 6-31G* GENECP | -1952.97514612; Eh | ||||
| 23-Jul-2026 | 25-TSc2N-c2A | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | 6-31G* GENECP | -1952.91861389; Eh | ||||
| 23-Jul-2026 | 26-TS_c2N-c3N | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | - | 6-31G* GENECP | -1649.41674409; Eh | ||||
| 23-Jul-2026 | 35-TS_c4A-c5A | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | AsymmetricIEFPCM | 6-31G* GENECP | -1952.92743048; Eh | ||||
| 23-Jul-2026 | 35-c7N | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | AsymmetricIEFPCM | 6-31G* GENECP | -1649.44733467; Eh | ||||
| 23-Jul-2026 | 32-TS_c3N-c4N-ortho-mesitylene | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | - | 6-31G* GENECP | -1999.32570052; Eh | ||||
| 23-Jul-2026 | 34-c4N | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | AsymmetricI | 6-31G* GENECP | -1649.43031525; Eh | ||||
| 23-Jul-2026 | 36-c2N | Sciortino, Giuseppe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization Minimum | AsymmetricI | 6-31G* GENECP | -1649.43016446; Eh |
Results 103781-103790 of 103806 (Search time: 0.062 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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