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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Jan-2023 | ni_picyne_4_ts_1_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -4890.6092939; Eh | |||
 | 30-Jan-2023 | ni_picyne_3_int_4_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -4045.1381464; Eh | |||
 | 30-Jan-2023 | ni_picyne_3_ts_2_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -4045.1189829; Eh | |||
 | 30-Jan-2023 | ni_picyne_3_ts_1_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -4045.0976951; Eh | |||
 | 30-Jan-2023 | ni_picyne_3_ts_4_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -4045.1113014; Eh | |||
 | 30-Jan-2023 | ni_c2_t7h_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -4045.2093053; Eh | |||
 | 30-Jan-2023 | oxydipicene_ts_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -1767.6163107; Eh | |||
 | 30-Jan-2023 | ni_picyne_3_ts_3_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -4045.1186854; Eh | |||
 | 30-Jan-2023 | t7h_mmm_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -2536.7778029; Eh | |||
 | 30-Jan-2023 | t7h_pmm_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -2536.7912786; Eh |
Results 21-30 of 31 (Search time: 0.001 seconds).