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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
14-Feb-2023 | beta4_parallel-antiparallel_md11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.68611528896; Eh | ||||
14-Feb-2023 | beta4_parallel-antiparallel_md10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.68087282303998; Eh | ||||
14-Feb-2023 | beta2_parallel-antiparallel_md2 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.62229336192; Eh | ||||
14-Feb-2023 | beta2_parallel-antiparallel_md3 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.616931376; Eh | ||||
14-Feb-2023 | beta2_parallel-antiparallel_md0 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.59532152256; Eh | ||||
14-Feb-2023 | beta2_parallel-antiparallel_md1 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.63008590656; Eh | ||||
14-Feb-2023 | beta2_parallel-antiparallel_md4 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.62268650304; Eh | ||||
14-Feb-2023 | omega2_parallel-antiparallel_md5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.13718622335998; 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 |
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