Accurate Reaction Enthalpies and Sources of Error in DFT Thermochemistry for Aldol, Mannich, and α-Aminoxylation Reactions - Wheeler, Steven E; Moran, Antonio; Pieniazek, Susan N; Houk, K. N (The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2009)
Keywords: A: Molecular Structure, Quantum Chemistry, General Theory; Aldehydes - chemistry; Computer Simulation; Ketones - chemistry; Mannich Bases - chemistry; Models, Chemical; Oxazines - chemistry; Temperature; Thermodynamics