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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_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 | ni_picyne_2_int_1_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -3199.5291489; Eh | |||
 | 30-Jan-2023 | ni_picyne_2_int_2_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -3199.514435; Eh | |||
 | 30-Jan-2023 | ni_picyne_2_ts_1_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -3199.5084635; Eh | |||
 | 30-Jan-2023 | ni_picyne_3_int_1_c2_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -4042.20904422; Eh | |||
 | 30-Jan-2023 | ni_picyne_3_int_1_c2_spe | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Single point Structure | RwB97XD | DEF2TZVP | -4045.0836503; Eh | |||
 | 30-Jan-2023 | ni_picyne_3_int_2_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -4042.24877916; Eh | |||
 | 30-Jan-2023 | ni_picyne_3_int_4_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -4042.26314856; Eh | |||
 | 30-Jan-2023 | ni_picyne_3_int_3_opt | Artigas Ruf, Albert | Gaussian; 16; ES64L-G16RevA.03 | Geometry optimization Minimum | RwB97XD | DEF2SVP | -4042.27771601; Eh |
Results 31-40 of 91 (Search time: 0.001 seconds).