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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
14-Feb-2023 | beta2_parallel-antiparallel_md3 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.616931376; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.47955174144; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md0 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.45929740416; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.5031913632; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.51866872512; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.5013260544; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.4686213984; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.4639521504; Eh |
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