Search
Add filters:
Use filters to refine the search results.
Item hits:
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Jan-2023 | pd_picyne_3_pph3_int_4_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP GEN | -3701.1386158; Eh | |||
 | 30-Jan-2023 | pd_picyne_3_pph3_int_2_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP GEN | -3701.1030119; Eh | |||
 | 30-Jan-2023 | pd_picyne_3_pph3_ts_1_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP GEN | -3700.9956025; 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_c2_t7h_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -4045.2093053; 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 | t7h_pmm_ppm_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -2536.6953098; Eh | |||
 | 30-Jan-2023 | t7h_pmm_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -2536.7912786; Eh | |||
 | 20-Sep-2023 | hbtp_ppp_mpp_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -1614.9216811; Eh | |||
 | 20-Sep-2023 | hbtp_ppp_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -1614.9727775; Eh |
Results 31-40 of 42 (Search time: 0.001 seconds).