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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 21-Feb-2023 | SP2_design_md8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -213.40947941759995; Eh | |||
![]() | 21-Feb-2023 | SP2_crystal_md12 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -216.83688832319996; Eh | |||
![]() | 21-Feb-2023 | SP2_crystal_md10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -216.81918788927996; Eh | |||
![]() | 21-Feb-2023 | SP2_crystal_md11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -216.82702983551997; Eh | |||
![]() | 21-Feb-2023 | SP2_design_md10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -213.38174392511996; Eh | |||
![]() | 21-Feb-2023 | SP2_design_md12 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -213.34295251391998; Eh | |||
![]() | 21-Feb-2023 | SP2_design_md11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -213.33718878143998; Eh | |||
![]() | 21-Feb-2023 | SP2_design_md9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -213.37692950016; Eh | |||
![]() | 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 | SP2_crystal_EET | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -2148.0089105; Eh |
Results 21-30 of 44 (Search time: 0.001 seconds).