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Conceptual density functional theory: status, prospects, issues

Paul Geerlings, Eduardo Chamorro, Pratim Kumar Chattaraj, Frank De Proft, José L. Gázquez, Shubin Liu, Christophe Morell, Alejandro Toro‐Labbé, Alberto Vela, Paul W. Ayers

2020Theoretical Chemistry Accounts462 citationsDOIOpen Access PDF

Topics & Concepts

Density functional theoryFunction (biology)Conceptual frameworkComputer scienceExposition (narrative)ChemistryComputational chemistryEpistemologyPhilosophyLiteratureArtEvolutionary biologyBiologyFree Radicals and AntioxidantsSpectroscopy and Quantum Chemical StudiesAdvanced Chemical Physics Studies
Conceptual density functional theory: status, prospects, issues | Litcius