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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_antiparallel_1chrom_md6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -167.81436417023997; Eh | |||
![]() | 14-Feb-2023 | alpha4_antiparallel_1chrom_md7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -167.78816984832; Eh | |||
![]() | 14-Feb-2023 | alpha4_antiparallel_1chrom_md8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -167.81572797311998; Eh | |||
![]() | 14-Feb-2023 | alpha4_antiparallel_1chrom_md3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -167.79652668672; Eh | |||
![]() | 14-Feb-2023 | alpha4_antiparallel_1chrom_md5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -167.820410448; Eh | |||
![]() | 14-Feb-2023 | alpha4_antiparallel_1chrom_md1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -167.79355207296; Eh | |||
![]() | 14-Feb-2023 | alpha4_antiparallel_1chrom_md4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -167.806330992; Eh | |||
![]() | 14-Feb-2023 | alpha4_parallel-antiparallel_2chroms_md6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.21367682367998; Eh | |||
![]() | 14-Feb-2023 | alpha4_parallel-antiparallel_2chroms_md5 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.20953218879998; Eh | |||
![]() | 14-Feb-2023 | alpha4_parallel-antiparallel_2chroms_md8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.21051368704; Eh |
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