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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
14-Feb-2023 | alpha4_parallel-antiparallel_2chroms_md7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.20250425344; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_2chroms_md2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.20290902784; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_2chroms_md4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.21518691903998; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_2chroms_md3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.23300719168; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_2chroms_md1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.21369690304; Eh | ||||
14-Feb-2023 | beta4_parallel-antiparallel_md5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.73629934655997; Eh | ||||
14-Feb-2023 | beta4_parallel-antiparallel_md8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.70965929471998; Eh | ||||
14-Feb-2023 | beta4_parallel-antiparallel_md7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.73528103616; Eh | ||||
14-Feb-2023 | beta4_parallel-antiparallel_md4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.70245542592; Eh | ||||
14-Feb-2023 | beta4_parallel-antiparallel_md3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.7164756; Eh |
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