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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Aug-2024 | ar3no2_cat | García-Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | RB3LYP | 6-31G(D) | -1181.23526798; Eh | |||
| 28-Aug-2024 | ar3m2_rad | García-Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Geometry optimization Minimum | UB3LYP | 6-31G(D) | -1345.62485505; Eh | |||
| 28-Aug-2024 | SP_ar2dmnomeobn_meoh_MeButa | García-Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(D,P) | -1252.1290391; Eh | |||
| 28-Aug-2024 | SP_ar2dmnome_rad_MeButa | García-Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G(D,P) | -750.7030453; Eh | |||
| 28-Aug-2024 | SP_ar2dmnomeobn_meoh_PMMA | García-Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(D,P) | -1252.1275676; Eh | |||
| 28-Aug-2024 | SP_ar2dmnomeobn_MeButa | García-Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(D,P) | -1136.3447494; Eh | |||
| 28-Aug-2024 | SP_ar2dmnome_rad_PMMA | García-Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G(D,P) | -750.7019955; Eh | |||
| 28-Aug-2024 | SP_ar2dmnomeobn_PMMA | García-Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(D,P) | -1136.3433808; Eh | |||
| 28-Aug-2024 | SP_ar2dmnomeobn_meoh | García-Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G(D,P) | -1252.1323025; Eh | |||
| 28-Aug-2024 | SP_ar2dmnome_rad | García-Padilla, Eduardo | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | UB3LYP | 6-311+G(D,P) | -750.7053575; Eh |
Results 90451-90460 of 103529 (Search time: 0.055 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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