Browsing by Author vila, jordi
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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 27-Jul-2021 | A2 | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -3625.545246; Eh | |||
 | 26-Oct-2022 | A2 | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.8569837; Eh | |||
 | 27-Jul-2021 | A2P | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4277.5817478; Eh | |||
 | 27-Jul-2021 | A2PP | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4277.5782975; Eh | |||
 | 27-Jul-2021 | A3 | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4277.6363886; Eh | |||
 | 26-Oct-2022 | A3cis | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.8285155; Eh | |||
 | 26-Oct-2022 | A3trans | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.8352164; Eh | |||
 | 26-Oct-2022 | A3yne | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -6067.9485984; Eh | |||
 | 27-Jul-2021 | A4 | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4810.8599284; Eh | |||
 | 26-Oct-2022 | A4cis | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.885635; Eh | |||
 | 26-Oct-2022 | A4trans | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.8722465; Eh | |||
 | 27-Jul-2021 | A5 | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4810.898057; Eh | |||
 | 26-Oct-2022 | A5cis | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.9470055; Eh | |||
 | 26-Oct-2022 | A5trans | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | CC-PVTZ GEN | -5534.9472365; 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 | A6a | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4810.9528077; Eh | |||
 | 27-Jul-2021 | A6s | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4810.96443; 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 | A7P | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4810.9748291; Eh | |||
 | 27-Jul-2021 | A8 | vila, jordi | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RM06L | CC-PVTZ GEN | -4810.9868958; Eh |