Simulations with the OPLS/AA force field and DFT validation show that a linear PEI chain with ten amino groups forms stable complexes with up to four Hg2+ ions in water.
Title resolution pending
1 Pith paper cite this work, alongside 144 external citations. Polarity classification is still indexing.
1
Pith paper citing it
144
external citations · OpenAlex
citation-role summary
background 1
citation-polarity summary
fields
cond-mat.soft 1years
2025 1verdicts
CONDITIONAL 1roles
background 1polarities
unclear 1representative citing papers
citing papers explorer
-
Chelation of the mercury ions by polyethyleneimine: Atomistic molecular dynamics study
Simulations with the OPLS/AA force field and DFT validation show that a linear PEI chain with ten amino groups forms stable complexes with up to four Hg2+ ions in water.