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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Sep-2023 | t7hr_pmm_ppm_temp | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -2534.12996405; Eh | |||
 | 20-Sep-2023 | t7h_mmm_pmm_temp | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -2534.11011575; Eh | |||
 | 20-Sep-2023 | hbtp_pmm_mmm_ts | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -1613.26204074; Eh | |||
 | 20-Sep-2023 | hbtp_mpp_pmm_ts | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -1613.28549936; Eh | |||
 | 20-Sep-2023 | hbtp_ppp_mpp_ts | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -1613.26204065; Eh | |||
 | 30-Jan-2023 | ni_picyne_2_ts_1_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -3197.50854914; Eh | |||
 | 30-Jan-2023 | ni_picyne_4_ts_1_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -4886.86640362; Eh | |||
 | 30-Jan-2023 | pd_picyne_3_pph3_ts_2_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP GEN | -3697.52333609; Eh | |||
 | 30-Jan-2023 | t7h_pmm_ppm_opt_ts | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -2534.09653624; Eh | |||
 | 30-Jan-2023 | t7h_mmm_pmm_opt_ts | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -2534.11011575; Eh |
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