Density Functional Study of Organocatalytic Cross-Aldol Reactions between Two Aliphatic Aldehydes: Insight into Their Functional Differentiation and Origins of Chemo- and Stereoselectivities - Fu, Aiping; Zhao, Chengyan; Li, Hongliang; Tian, Fenghui; Yuan, Shuping; Duan, Yunbo; Wang, Zonghua (The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory, 2013)
Keywords: Aldehydes; Aldehydes - chemistry; Aliphatic compounds; Amines - chemistry; Atomic and molecular physics; Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations); Catalysis; Catalysts; Chemistry; Computer Simulation; Density; Density-functional theory; Electronic structure of atoms, molecules and their ions: theory; Electronics; Exact sciences and technology; Formations; Kinetics and mechanisms; Models, Molecular; Organic chemistry; Physics; Proline; Proline - chemistry; Quantum Theory; Reactivity and mechanisms; Stereoisomerism; Stereoselectivity; Thermodynamics; Geometrical structure; Stereoselectivity; Catalytic reaction; Transition state; Theoretical study; Reaction mechanism; Density functional method; Proline