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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Sep-2023 | hbtp_mmm_temp | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2SVP | -1613.31367932; Eh | |||
 | 17-Oct-2023 | int_4_path_a_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ GEN | -3637.0851328; Eh | |||
 | 17-Oct-2023 | ts_2_path_a_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ GEN | -3636.993111; Eh | |||
 | 17-Oct-2023 | product_da_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -3434.4125437; Eh | |||
 | 17-Oct-2023 | rc_da_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -3434.3868758; Eh | |||
 | 17-Oct-2023 | ts_da_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -3434.3677701; Eh | |||
 | 17-Oct-2023 | int_i_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RB3LYP | CC-PVTZ | -1147.3964962; Eh | |||
 | 20-Sep-2023 | hbtp_pmm_mmm_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -1614.9216824; Eh | |||
 | 20-Sep-2023 | hbtp_mpp_pmm_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -1614.9451714; Eh | |||
 | 20-Sep-2023 | hbtp_ppp_mpp_temp | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2SVP | -1613.26204065; Eh |
Results 1-10 of 63 (Search time: 0.001 seconds).