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Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
14-Feb-2023 | epsilon_parallel-antiparallel_md1 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.40164494016; Eh | ||||
14-Feb-2023 | epsilon_parallel-antiparallel_md2 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.43750141824; Eh | ||||
14-Feb-2023 | epsilon_parallel-antiparallel_md0 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.3931325664; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.51866872512; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.47955174144; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.4498989888; Eh | ||||
14-Feb-2023 | alpha2_parallel-antiparallel_md6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.4686213984; Eh | ||||
14-Feb-2023 | epsilon_parallel-antiparallel_md9 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.39176477951997; Eh | ||||
14-Feb-2023 | epsilon_parallel-antiparallel_md10 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.41655322751998; Eh | ||||
14-Feb-2023 | epsilon_parallel-antiparallel_md8 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.40039507967998; Eh |
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