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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 30-Jan-2023 | oxydipicene_ts_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -1765.78911410; Eh | |||
 | 30-Jan-2023 | ni_picyne_3_ts_3_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -4042.24630297; 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 | ni_picyne_3_ts_1_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -4042.22295730; Eh | |||
 | 30-Jan-2023 | ni_picyne_3_ts_4_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization TS | RwB97XD | DEF2SVP | -4042.24323255; 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 | |||
 | 8-Apr-2024 | /figureS1 1TS2Z | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) 6-31+G(D,P) GEN | -1618.19906899; Eh | |||
| 8-Apr-2024 | /figureS1 1I2Z | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) 6-31+G(D,P) GEN | -1618.19565468; Eh | |||
| 8-Apr-2024 | /figureS1 1TS1Z | Mu, Manting | Gaussian; 16; ES64L-G16RevC.01 | Geometry optimization TS | RwB97XD | 6-31G(D,P) 6-31+G(D,P) GEN | -1618.19565468; Eh | |||
 | 7-May-2024 | c3ab | Cambeiro, Xacobe | Gaussian; 16; ES64L-G16RevB.01 | Geometry optimization TS | RwB97XD | GEN | -1084.75584644; Eh |
Results 111-120 of 176 (Search time: 0.002 seconds).