TY - BOOK ID - 77944413 TI - Frontier orbitals and reaction paths : selected papers of Kenichi Fukui AU - Fukui, Ken'ichi AU - Fujimoto, Hiroshi. PY - 1997 SN - 128195568X 9786611955687 9812795847 9789812795847 9810222416 9789810222413 6611955682 PB - Singapore ; River Edge, N.J. : World Scientific, DB - UniCat KW - Molecular orbitals. KW - Chemical reactions. KW - Physical organic chemistry. KW - Chemistry, Physical organic KW - Chemistry, Organic KW - Chemistry, Physical and theoretical KW - Reactions, Chemical KW - Chemical processes KW - Orbitals, Molecular KW - Chemical bonds KW - Electrons KW - Molecules KW - Overlap integral KW - Quantum chemistry KW - Valence (Theoretical chemistry) KW - Wave mechanics UR - https://www.unicat.be/uniCat?func=search&query=sysid:77944413 AB - This book is a collection of selected papers on the Frontier Orbital Theory by Nobel prizewinner Kenichi Fukui (Chemistry 1981), with introductory notes. It provides the basic concept and formulation of the theory, and the physical and chemical significance of the frontier orbital interactions in chemistry, together with many practical applications. The formulation of the Intrinsic Reaction Coordinate and applications to some simple systems are also presented. The aim of this volume is to show by what forces chemical reactions are driven and to demonstrate how the regio- and stereo-selectivities are determined in chemical reactions. Students and senior investigators will gain insight into the nature of chemical reactions and find out how quantum chemical calculations are connected with chemical intuition. ER -