A DFT investigation on the chemisorption mechanism and coordinate bonding of chromium by polyphenol–silica composites: insights from NCI and QTAIM analyses

Journal of Molecular Modeling 2026

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Authors: Fatur Assyidiq, Dino Dewantara, Ambo Intang, Ismail Ismail, Ananda Aprilia, Muhammad Djoni Bustan, Sri Haryati

DOI: 10.1007/s00894-026-06800-w

Cited by: 1

References: 43

Fields of Study & Subjects

Chromium effects and bioremediation Environmental remediation with nanomaterials Adsorption and biosorption for pollutant removal

References 43