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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_1chrom_md9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.12267445504; Eh | |||
![]() | 14-Feb-2023 | beta4_parallel-antiparallel_md2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.69159743231998; Eh | |||
![]() | 14-Feb-2023 | alpha4_parallel-antiparallel_md6 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.36522878975998; Eh | |||
![]() | 14-Feb-2023 | alpha4_parallel-antiparallel_md5 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.37133339328; Eh | |||
![]() | 14-Feb-2023 | alpha4_parallel-antiparallel_md9 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.34782635904; Eh | |||
![]() | 14-Feb-2023 | alpha4_parallel-antiparallel_md8 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.36631482816; Eh | |||
![]() | 14-Feb-2023 | alpha4_parallel-antiparallel_md7 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.3511292544; Eh | |||
![]() | 14-Feb-2023 | alpha4_parallel-antiparallel_md10 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.36506305536; Eh | |||
![]() | 14-Feb-2023 | beta4_parallel-antiparallel_md1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.70080907776; Eh | |||
![]() | 14-Feb-2023 | beta4_parallel-antiparallel_md0 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -171.6895684608; Eh |
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