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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Jul-2021 | A7P | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4810.9748291; Eh | |||
 | 27-Jul-2021 | A7 | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4810.969179; Eh | |||
 | 27-Jul-2021 | A6 | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4810.973381; Eh | |||
 | 27-Jul-2021 | TS1(A2PA3) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4277.5711009; Eh | |||
 | 27-Jul-2021 | TS(A6sA7) | vila, jordi | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06L | CC-PVTZ GEN | -4810.9308179; Eh | |||
 | 27-Jul-2021 | TS(A5A6) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4810.8836275; Eh | |||
 | 27-Jul-2021 | TS(A2A3) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -3625.5183875; Eh | |||
 | 27-Jul-2021 | A8 | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4810.9868958; Eh | |||
 | 27-Jul-2021 | A9 | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4811.0256028; Eh | |||
 | 27-Jul-2021 | A1 | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -3092.317148; Eh |
Results 21-30 of 146 (Search time: 0.001 seconds).
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Subject
- 46 biradical
- 46 Cycloaddition
- 46 Diels–Alder reaction
- 46 Rhodium
- 46 Spiro compounds
- 46 stepwise
Program name
- 146 Gaussian
Calculation type