Paul Geerlings

Ab initio study of the elastic properties of single-walled carbon nanotubes and graphene

Gregory Van Lier, Christian Van Alsenoy, V. Van Doren et al. · Chemical Physics Letters · 2000 · 529 citations

Natural Sciences, Materials Science, Physics +16

Electrophilicity and Nucleophilicity Index for Radicals

Freija De Vleeschouwer, Véronique Van Speybroeck, Michel Waroquier et al. · Organic Letters · 2007 · 526 citations

Natural Sciences, Chemistry, Quantum Chemistry +6

Conceptual density functional theory: status, prospects, issues

Paul Geerlings, Eduardo Chamorro, Pratim Kumar Chattaraj et al. · Theoretical Chemistry Accounts · 2020 · 462 citations · Full text

Natural Sciences, Mathematics, Physics +10

Local Softness and Hardness Based Reactivity Descriptors for Predicting Intra- and Intermolecular Reactivity Sequences: Carbonyl Compounds

Ram Kinkar Roy, S. Krishnamurti, Paul Geerlings et al. · The Journal of Physical Chemistry A · 1998 · 421 citations

Natural Sciences, Chemistry, Computational Chemistry +16

Conceptual DFT: the chemical relevance of higher response functions

Paul Geerlings, Frank De Proft · Physical Chemistry Chemical Physics · 2008 · 326 citations

Natural Sciences, Chemistry, Physics +17