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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_md1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.03229435583998; Eh | |||
![]() | 14-Feb-2023 | beta2_parallel-antiparallel_md8 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.63888767807998; Eh | |||
![]() | 14-Feb-2023 | beta2_parallel-antiparallel_md7 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.57888385727998; Eh | |||
![]() | 14-Feb-2023 | beta2_parallel-antiparallel_md10 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.59089402368; Eh | |||
![]() | 14-Feb-2023 | omega4_parallel-antiparallel_md0 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.04746192192; Eh | |||
![]() | 14-Feb-2023 | beta2_parallel-antiparallel_md9 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.60700229184; Eh | |||
![]() | 14-Feb-2023 | omega4_parallel-antiparallel_md2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.0646820448; Eh | |||
![]() | 14-Feb-2023 | omega2_parallel-antiparallel_md11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.11308063296; Eh | |||
![]() | 14-Feb-2023 | omega2_parallel-antiparallel_md9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.11264510208; Eh | |||
![]() | 14-Feb-2023 | omega2_parallel-antiparallel_md10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.130106496; Eh |
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