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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 22-Oct-2020 | TS_C70_beta | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM06 | CC-PVTZ | -3851.0584416; Eh | |||
| 22-Oct-2020 | TS_C70_alpha | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM062X | CC-PVTZ | -3852.4065991; Eh | |||
| 22-Oct-2020 | RC_C70_alpha | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM062X | CC-PVTZ | -3852.4295114; Eh | |||
| 22-Oct-2020 | RC_C70_beta | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM062X | CC-PVTZ | -3852.4302754; Eh | |||
| 22-Oct-2020 | PRODUCT_C60 | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM062X | CC-PVTZ | -3471.3511626; Eh | |||
| 22-Oct-2020 | PRODUCT_C70_alpha_bis | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM062X | CC-PVTZ | -3852.4775485; Eh | |||
| 22-Oct-2020 | TS_C70_alpha_bis | Artigas, Albert | Gaussian; 09; ES64L-G09RevE.01 | Single point Structure | RM062X | CC-PVTZ | -3852.4036364; Eh | |||
 | 2-Aug-2023 | tBuPh_C5_OH_MeOH | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RB3LYP | DGDZVP | -5092.81932019; Eh | |||
 | 2-Aug-2023 | tBuPh_C5_OH_MeOH_C70 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | - | VSTO-6G ZDO | - | |||
 | 2-Aug-2023 | tBuPh_C5_OH_MeOH_C60 | Lledó, Agustí | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | - | VSTO-6G | - |
Results 281-290 of 300 (Search time: 0.001 seconds).