Secondary nucleation guided noncovalent synthesis of dendritic homochiral superstructures via growth on and from surface
Contributors
Contact person:
Data curator (7):
Editor (2):
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1.
Indian Institute of Technology Hyderabad
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2.
National Institute of Science Education and Research
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3.
Indian Institute of Technology Kharagpur
- 4. ICAR-Central Institute of Freshwater Aquaculture
Description
The file.zip contains the following files:
1. Manuscript_experimental_data.xlsx --> The excel file contains the raw data about CD, absorption, secondary nucleation fitting data, IV characteristics and CPL sensing.
2. phecore-phecore_rdf.dat --> Manuscript Figure 4(a): data regarding g(r) of phenyl core-core interactions
3. D1.xyz, D2.xyz, D3.xyz --> Optimized lowest-energy dimer configuration of S-G corresponding to Supplementary Figure 14(b)
4. D4.xyz, D5.xyz, D6.xyz --> Optimized lowest-energy dimer configuration of S-PDI corresponding to Supplementary Figure 14(b)
5. inital_md_configuration_S-G_system.pdb and final_md_configuration_S-G_system.pdb are the initial and final configurations, respectively, correspond to the molecular dynamics simulation of a system where the S-G oligomer is immersed in a solution of 15% CHCl3 in IPA.
6. inital_md_configuration_S-PDI_system.pdb and final_md_configuration_S-PDI_system.pdb are the initial and final configurations, respectively, correspond to the molecular dynamics simulation of a system where the S-PDI oligomer is immersed in a solution of 15% CHCl3 in IPA.