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Wittig_vs_Epoxidation_reaction |
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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 10-Sep-2025 | /System_S_with_the_silyl_group_ STS3 | Apaloo-Messan, Edmond | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -1885.11334655; Eh | |||
![]() | 10-Sep-2025 | /System_S_with_the_silyl_group_ Sf | Apaloo-Messan, Edmond | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | 6-31G(D) LANL2DZ GENECP | -1885.15362507; Eh | |||
![]() | 10-Sep-2025 | /System_S_with_the_silyl_group_ STS1 | Apaloo-Messan, Edmond | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -1984.35550441; Eh | |||
![]() | 10-Sep-2025 | Li(THF)3Bpin | Apaloo-Messan, Edmond | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | 6-31G(D) GEN | -1191.67771169; Eh | |||
![]() | 10-Sep-2025 | ketone | Apaloo-Messan, Edmond | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | 6-31G(D) GEN | -309.916363096; Eh | |||
![]() | 10-Sep-2025 | /System_B_without_the_silyl_group Bf | Apaloo-Messan, Edmond | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | 6-31G(D) LANL2DZ GENECP | -1887.19187548; Eh | |||
![]() | 10-Sep-2025 | /System_B_without_the_silyl_group BTS3 | Apaloo-Messan, Edmond | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization TS | RB3LYP | 6-31G(D) LANL2DZ GENECP | -1887.16171837; Eh | |||
![]() | 10-Sep-2025 | /System_B_without_the_silyl_group Bg | Apaloo-Messan, Edmond | Gaussian; 16; AM64L-G16RevA.03 | Single point Structure | RB3LYP | 6-31G(D) LANL2DZ GENECP | -1887.20648181; Eh | |||
![]() | 10-Sep-2025 | /System_B_without_the_silyl_group Bh | Apaloo-Messan, Edmond | Gaussian; 16; AM64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | 6-31G(D) GENECP | -1170.64729402; Eh |
Results 93701-93710 of 93712 (Search time: 0.055 seconds).
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Subject
- 10601 Heterogeneous catalysis
- 9523 Adsorption
- 9253 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4232 Conformation analysis
- 4232 N-Oxides
- 4163 Electrochemical CO₂ reduction
- 3859 Copper
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