DFT/COSMO data for hydroxypropyl–phenyltriazole-functionalized chitosan as an adaptive amphiphilic emulsifier

Description

This dataset contains supporting computational data for the DFT/COSMO analyses of chitosan (CS) and hydroxypropyl–phenyltriazole-functionalized chitosan (CS-HP-PhTrz). The dataset includes optimized molecular structures, calculation settings, exported DFT output files, COSMO sigma-profile data, and supporting surface images used to interpret the amphiphilic and antioxidant behavior of CS-HP-PhTrz.

Institutions

• Konkuk University

  Seoul, Seoul

Categories

Funders

• Korea Institute for Advancement of Technology

  Seoul

  Grant ID: RS-2024-00410875

Licence