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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
![]() | 14-Feb-2023 | omega4_parallel-antiparallel_md6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.06813888192; Eh | |||
![]() | 14-Feb-2023 | omega4_parallel-antiparallel_md8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.0505013952; Eh | |||
![]() | 14-Feb-2023 | omega4_parallel-antiparallel_md4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.09621588288; Eh | |||
![]() | 14-Feb-2023 | alpha2_parallel-antiparallel_md5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.51866872512; Eh | |||
![]() | 14-Feb-2023 | alpha2_parallel-antiparallel_md7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.47955174144; Eh | |||
![]() | 14-Feb-2023 | alpha2_parallel-antiparallel_md8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.4498989888; Eh | |||
![]() | 14-Feb-2023 | alpha2_parallel-antiparallel_md6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.4686213984; Eh | |||
![]() | 14-Feb-2023 | alpha4_antiparallel_2chroms_EET3 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3649769; Eh | |||
![]() | 14-Feb-2023 | alpha4_antiparallel_2chroms_EET1 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3686306; Eh | |||
![]() | 14-Feb-2023 | alpha4_antiparallel_2chroms_EET5 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.365953; Eh |
Results 121-130 of 136 (Search time: 0.002 seconds).