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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_2chroms_md8 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.89134951807998; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.8892598304; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.90233595584; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.87171349759998; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.90504826304; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_1chrom_md0 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -167.77932154367997; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.8764106336; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_1chrom_md7 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.14855101311997; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_1chrom_md11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.10073217664; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_1chrom_md6 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.11066875072; Eh |
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