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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 28-Feb-2021 | /GeomOpt_wB97XD M22_singlet | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | GEN | -3959.23456147; Eh | |||
 | 28-Feb-2021 | /GeomOpt_wB97XD M31_singlet | Foscato, Marco | Gaussian; 09; EM64L-G09RevD.01 | Single point Structure | RwB97XD | GEN | -3959.26639054; Eh | |||
 | 22-Sep-2021 | Li4EPc-8H2 | Poddar, Arpita | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | RwB97XD | DEF2TZVPP | - | |||
 | 22-Sep-2021 | Li4EPc-8H2_optimized_structure | Poddar, Arpita | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | RwB97XD | DEF2TZVPP | - | |||
 | 22-Sep-2021 | Li4EPc-4H2_optimized_structure | Poddar, Arpita | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | RwB97XD | DEF2TZVPP | - | |||
 | 22-Sep-2021 | Li4EPc_optimized_structure | Poddar, Arpita | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | RwB97XD | DEF2TZVPP | - | |||
 | 23-Sep-2021 | Optimized_structure_of_Li4EPc-8H2 | Poddar, Arpita | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | RwB97XD | DEF2TZVPP | - | |||
 | 23-Sep-2021 | Frequency_calculation_for_Li4EPc | Poddar, Arpita | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | RwB97XD | DEF2TZVPP | - | |||
 | 23-Sep-2021 | Li4EPc_optimized_structure | Poddar, Arpita | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | RwB97XD | DEF2TZVPP | - | |||
 | 23-Sep-2021 | Frequency_calculation_for_optimized_Li4EPc | Poddar, Arpita | Gaussian; 16; EM64L-G16RevB.01 | Single point Structure | RwB97XD | DEF2TZVPP | - |
Results 21-30 of 107 (Search time: 0.001 seconds).