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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_md1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.89564283584; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_2chroms_md2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -175.85087032512; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_1chrom_md2 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.08930558656002; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_1chrom_md3 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.11464318912; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_1chrom_md4 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.1292227168; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_1chrom_md1 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.10983991935998; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_1chrom_md0 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.09833938624; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_1chrom_md10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -167.80582167743998; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_1chrom_md11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -167.78708635968; Eh | ||||
14-Feb-2023 | alpha4_antiparallel_1chrom_md9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -167.80761814272; Eh |
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