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