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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_md4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.09621588288; 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 | |||
![]() | 20-Feb-2023 | SP1_crystal_md1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.55294977984; Eh | |||
![]() | 20-Feb-2023 | SP1_crystal_md2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -258.548381088; Eh |
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