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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_md11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.085561392; Eh | ||||
14-Feb-2023 | omega2_parallel-antiparallel_md1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.10642113792; Eh | ||||
14-Feb-2023 | omega2_parallel-antiparallel_md2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.14058154752; Eh | ||||
14-Feb-2023 | omega2_parallel-antiparallel_md0 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.12471534719998; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.46469365247998; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.50754220992; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.47448441216; Eh | ||||
14-Feb-2023 | epsilon_parallel-antiparallel_md3 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.42474480959999; Eh | ||||
14-Feb-2023 | epsilon_parallel-antiparallel_md2 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.43750141824; Eh | ||||
14-Feb-2023 | epsilon_parallel-antiparallel_md1 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.40164494016; Eh |
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