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| Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
|---|---|---|---|---|---|---|---|---|---|---|---|
 | 14-Feb-2023 | omega2_parallel-antiparallel_md6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.1134406272; Eh | |||
| 14-Feb-2023 | omega2_parallel-antiparallel_md4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.11469144384; Eh | |||
| 14-Feb-2023 | omega2_parallel-antiparallel_md8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.10890460416; Eh | |||
| 14-Feb-2023 | omega2_parallel-antiparallel_md9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.11264510208; Eh | |||
| 14-Feb-2023 | omega2_parallel-antiparallel_md7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.0991460352; 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_EET2 | Curti, Mariano | Gaussian; 16; ES64L-G16RevB.01 | Excitation energy transfer | RCAM-B3LYP; TD-FC | 6-31G(D) | -4315.3706521; Eh | |||
| 14-Feb-2023 | epsilon_parallel-antiparallel_md8 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.40039507967998; Eh | |||
| 14-Feb-2023 | epsilon_parallel-antiparallel_md4 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.39749026559997; Eh | |||
| 14-Feb-2023 | epsilon_parallel-antiparallel_md10 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.41655322751998; Eh |
Results 31-40 of 136 (Search time: 0.001 seconds).