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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 1-Sep-2023 | Constrained_optimisation_of_TS(RS35) | Novotny, Jan | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Structure | RM062X | GEN | -645.989574692; Eh | |||
| 1-Sep-2023 | Constrained_optimisation_of_PS | Novotny, Jan | Gaussian; 09; ES64L-G09RevE.01 | Geometry optimization Structure | RM062X | GEN | -646.064414801; Eh | |||
| 1-Sep-2023 | MK_RS7 | Novotny, Jan | Gaussian; 09; EM64L-G09RevC.01 | Single point Structure | RM062X | GEN | -645.9717552; Eh | |||
| 1-Sep-2023 | MK_RS7_Val | Novotny, Jan | Gaussian; 09; EM64L-G09RevC.01 | Single point Structure | RM062X | GEN | -645.9590845; Eh | |||
| 1-Sep-2023 | MK_RS8_Val | Novotny, Jan | Gaussian; 09; EM64L-G09RevC.01 | Single point Structure | RM062X | GEN | -645.945571; Eh | |||
| 1-Sep-2023 | MK_RS8 | Novotny, Jan | Gaussian; 09; EM64L-G09RevC.01 | Single point Structure | RM062X | GEN | -645.9730125; Eh |
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