title: Relative energy computations with approximate density functional theory--a caveat!
authors.affiliation: Institute of Organic Chemistry, Justus-Liebig University, Heinrich-Buff-Ring 58, 35392 Giessen, Germany. prs@org.chemie.uni-giessen.de
authors.forename: Peter R
authors.initials: PR
authors.lastname: Schreiner
mesh_terms: D003198:Computer Simulation; D006838:Hydrocarbons / Q000737:chemistry; D008956:Models, Chemical; D015394:Molecular Structure; D011789:Quantum Theory
chemical_list: D006838:Hydrocarbons