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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_3_int_1_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -4042.22308025; Eh | |||
 | 30-Jan-2023 | ni_picyne_3_int_1_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -4045.0979515; Eh | |||
 | 30-Jan-2023 | ni_picyne_3_int_2_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -4045.1206112; Eh | |||
 | 30-Jan-2023 | ni_picyne_3_int_3_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -4045.1500654; Eh | |||
 | 30-Jan-2023 | pd_picyne_3_pph3_int_4_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP GEN | -3697.58287440; Eh | |||
 | 30-Jan-2023 | pd_picyne_3_pph3_int_2_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP GEN | -3697.54943704; Eh | |||
 | 30-Jan-2023 | pd_picyne_3_pph3_ts_2_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP GEN | -3701.0787769; Eh | |||
 | 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 |
Results 41-50 of 91 (Search time: 0.001 seconds).