Search
Add filters:
Use filters to refine the search results.
Item hits:
Preview | Issue Date | Title | Author(s) | Program | Calculation type | Method(s) | Basis Set | Energy | Solv. | Vibr. | Orb. |
---|---|---|---|---|---|---|---|---|---|---|---|
14-Feb-2023 | alpha4_antiparallel_1chrom_md9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -167.80761814272; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_2chroms_md9 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.22880534656; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_2chroms_md10 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.25391745472; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_2chroms_md11 | Curti, Mariano | Amber; 18 | Molecular Dynamics | - | - | -173.2434121248; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_md3 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.37970202431998; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_md2 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.35950091328; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_md4 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.36085611072; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_md0 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.35407868928; Eh | ||||
14-Feb-2023 | alpha4_parallel-antiparallel_md1 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.3732508128; Eh | ||||
14-Feb-2023 | beta2_parallel-antiparallel_md5 | Curti, Mariano | Amber; 20 | Molecular Dynamics | - | - | -171.61944320831998; Eh |
Results 11-20 of 153 (Search time: 0.001 seconds).
Discover
Subject
Method
- 13 RCAM-B3LYP
- 13 TD-FC