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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Jul-2021 | TS1(A2PPA3) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4277.5587504; Eh | |||
 | 27-Jul-2021 | TS2(A2PPA3) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4277.5408631; Eh | |||
 | 27-Jul-2021 | TS2(A2PA3) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4277.5619015; Eh | |||
 | 27-Jul-2021 | TS1(A4A5) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4810.8452935; Eh | |||
 | 27-Jul-2021 | TS2(A4A5) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4810.829402; Eh | |||
 | 27-Jul-2021 | RhSegPhos | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -2559.0686704; Eh | |||
 | 27-Jul-2021 | TS(A6aA7) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4810.9339679; Eh | |||
 | 27-Jul-2021 | TS(A7PA8) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4810.9697973; Eh | |||
 | 27-Jul-2021 | TS(A8A9) | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4810.9721207; Eh | |||
 | 27-Jul-2021 | 1a_Bisallene | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ | -1185.2398541; Eh |
Results 1-10 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