Insight into interaction properties between mercury and lead cations with chitosan and chitin: Density functional theory studies

The M06 suite of density functionals for main group thermochemistry, thermochemical kinetics, noncovalent interactions, excited states, and transition elements: two new functionals and systematic testing of four M06-class functionals and 12 other functionals

Yan Zhao, Donald G. Truhlar · Theoretical Chemistry Accounts · 2007 · 30K citations · Full text

Natural Sciences, Chemistry, Physics +17

A look at the density functional theory zoo with the advanced GMTKN55 database for general main group thermochemistry, kinetics and noncovalent interactions

Lars Goerigk, Andreas Hansen, Christoph Bauer et al. · Physical Chemistry Chemical Physics · 2017 · 1.9K citations · Full text

Natural Sciences, Chemistry, Physics +12

Revised Basis Sets for the LANL Effective Core Potentials

Lindsay E. Roy, P. Jeffrey Hay, Richard L. Martin · Journal of Chemical Theory and Computation · 2008 · 1.4K citations

Natural Sciences, Chemistry, Physics +10

Dynamic and static adsorption and desorption of Hg(II) ions on chitosan membranes and spheres

Rodrigo Silveira Vieira, Marisa Masumi Beppu · Water Research · 2006 · 230 citations

Engineering, Chemical Engineering, Materials Science +14

Selective separation of mercury(II) using magnetic chitosan resin modified with Schiff's base derived from thiourea and glutaraldehyde

Ahmed M. Donia, Asem A. Atia, Khalid Z. Elwakeel · Journal of Hazardous Materials · 2007 · 230 citations

Engineering, Chemical Engineering, Chemistry +12