Browsing by Subject Artificial Photosynthesis
Showing results 1 to 17 of 17
| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 20-Feb-2023 | SP1_crystal_EET | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -2148.0267509; Eh | |||
| 20-Feb-2023 | SP1_crystal_md1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.55294977984; Eh | |||
| 20-Feb-2023 | SP1_crystal_md10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.60679083072; Eh | |||
| 20-Feb-2023 | SP1_crystal_md11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.55850124479997; Eh | |||
| 20-Feb-2023 | SP1_crystal_md12 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.56076208511996; Eh | |||
| 20-Feb-2023 | SP1_crystal_md2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.548381088; Eh | |||
| 20-Feb-2023 | SP1_crystal_md3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.59683401792; Eh | |||
| 20-Feb-2023 | SP1_crystal_md4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.5607864672; Eh | |||
| 20-Feb-2023 | SP1_crystal_md5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.56174135232; Eh | |||
| 20-Feb-2023 | SP1_crystal_md6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.53828754432; Eh | |||
| 20-Feb-2023 | SP1_crystal_md7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.5736938304; Eh | |||
| 20-Feb-2023 | SP1_crystal_md8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.56282260992; Eh | |||
| 20-Feb-2023 | SP1_crystal_md9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.58913406143995; Eh | |||
| 20-Feb-2023 | SP1_design_EET | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -2148.0254414; Eh | |||
| 20-Feb-2023 | SP2_crystal_EET | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -2148.0089105; Eh | |||
| 20-Feb-2023 | SP2_design_EET | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -2148.0329476; Eh | |||
| 20-Feb-2023 | SP3_design_EET | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -2148.0244312; Eh |