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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 7-May-2021 | /NBO pOiPr_Ei_TS_NBO | Ieritano, Christian | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD | DEF2TZVPP | - | |||
 | 7-May-2021 | /NBO pOEt_Ei_TS_NBO | Ieritano, Christian | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD | DEF2TZVPP | - | |||
 | 7-May-2021 | /NBO pOtBu_Ei_TS_NBO | Ieritano, Christian | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD | DEF2TZVPP | - | |||
 | 11-Feb-2022 | Cartesian_coordinates_of_Complex_C_(solution_phase) | OH, Young-Ho | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RwB97XD | 6-31G(D) | - | |||
 | 2-Mar-2022 | 35-38-TSS-S | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD | 6-311++G(D,P) | - | |||
 | 11-Feb-2022 | Cartesian_coordinates_of_Complex_A-1_(solution_phase) | OH, Young-Ho | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RwB97XD | 6-31G(D) | - | |||
 | 11-Feb-2022 | Cartesian_coordinates_of_Complex_A_(solution_phase) | OH, Young-Ho | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RwB97XD | 6-31G(D) | - | |||
 | 11-Feb-2022 | Cartesian_coordinates_of_Complex_I_(gas_phase) | OH, Young-Ho | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RwB97XD | 6-311G(D,P) | - | |||
 | 2-Mar-2022 | 44-44a-S | Laconsay, Croix | Gaussian; 16; ES64L-G16RevC.01 | Single point Structure | RwB97XD | 6-311++G(D,P) | - | |||
 | 11-Feb-2022 | Cartesian_coordinates_of_Complex_III_(gas_phase) | OH, Young-Ho | Gaussian; 09; EM64L-G09RevA.02 | Single point Structure | RwB97XD | 6-311G(D,P) | - |
Results 1-10 of 107 (Search time: 0.002 seconds).