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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
| 23-Sep-2022 | /cm5 mOHPhI | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** GEN | -602.7774149; Eh | ||||
| 23-Sep-2022 | /cm5 pCF3Ph_Bpin | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** GEN | -822.9830753; Eh | ||||
| 23-Sep-2022 | /cm5 pClPh_Bpin | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** GEN | -945.4552766; Eh | ||||
| 23-Sep-2022 | /cm5 pCF3PhI | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** GEN | -864.6782796; Eh | ||||
| 23-Sep-2022 | /cm5 mtBu_Bpin | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** GEN | -643.1416725; Eh | ||||
| 23-Sep-2022 | /cm5 mOMe_Bpin | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** GEN | -600.3914624; Eh | ||||
| 23-Sep-2022 | /cm5 mOMePhI | Jover Modrego, Jesús | Gaussian; 09; AS64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** GEN | -642.087135; Eh | ||||
| 23-Sep-2022 | /cm5 oOMePhI | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** GEN | -642.0859663; Eh | ||||
| 23-Sep-2022 | /cm5 mtBuPhI | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** GEN | -684.8374312; Eh | ||||
| 23-Sep-2022 | /cm5 oMePhI | Jover Modrego, Jesús | Gaussian; 09; ES64L-G09RevD.01 | Single point Structure | RB3LYP | 6-311+G** GEN | -566.8556191; Eh |
Results 25081-25090 of 100136 (Search time: 0.016 seconds).
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Subject
- 13581 Heterogeneous catalysis
- 12448 Adsorption
- 12178 Transition metals
- 7049 Transition states
- 4273 Supramolecular chemistry
- 4255 Nanostructures
- 4232 Conformation analysis
- 4232 Electrochemical CO₂ reduction
- 4232 N-Oxides
- 3914 Copper
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