THIS VOLUME, WHICH IS DESIGNED FOR STAND-ALONE USE IN TEACHING AND RESEARCH, FOCUSES ON QUANTUM CHEMISTRY, AN AREA OF SCIENCE THAT MANY CONSIDER TO BE THE CENTRAL CORE OF COMPUTATIONAL CHEMISTRY. TUTORIALS AND REVIEWS COVER * HOW TO OBTAIN SIMPLE CHEMICAL INSIGHT AND CONCEPTS FROM DENSITY FUNCTIONAL THEORY CALCULATIONS, * HOW TO MODEL PHOTOCHEMICAL REACTIONS AND EXCITED STATES, AND * HOW TO COMPUTE ENTHALPIES OF FORMATION OF MOLECULES. A FOURTH CHAPTER TRACES CANADIAN RESEARCH IN THE EVOLUTION OF COMPUTATIONAL CHEMISTRY. ALSO INCLUDED WITH THIS VOLUME IS A SPECIAL TRIBUTE TO QCPE.FROM REVIEWS OF THE SERIES "Reviews in Computational Chemistry proves itself an invaluable resource to the computational chemist. This series has a place in every computational chemist's library."-Journal of the American Chemical Society

The final and largest volume to complete this four-volume treatise is published in response to the intense commercial and research interest in Fourier Transform Interferometry. Presenting current information from leading experts in the field, Volume 4 introduces new information on, for example, applications of Diffuse Reflectance Spectroscopy in the Far-Infrared Region. The editors place emphasis on surface studies and address advances in Capillary Gas Chromatography - Fourier Transform Interferometry. Volume 4 especially benefits spectroscopists and physicists, as well as researchers in physical, analytical, and surface chemistry. FROM THE PREFACE: Several reasons can be cited for the need to publish Volume 4 in this treatise. First, interest in Fourier transform interferometry (FT-IR) has continued. The number of commercial manufacturers of FT-IR instrumentation has increased, reflecting the increase in demand for such instrumentation. The main thrust in FT-IR instrumentation has focused on applications, and many techniques using FT-IR instrumentation have been generated in order to solve problems heretofore unsolvable. The interest in surfaces relative to catalysts, polymers, and electrical conductors has escalated. Three chapters in Volume 4 are devoted to surfaces. Second, the great acceptance of Volumes 1 through 3 and the demand to continue the treatise have induced us to publish Volume 4. The present volume contains nine chapters, making it the largest of the four volumes. Chapter 1 deals with infrared data processing techniques. Chapter 2 concerns itself with circular dichroism*b1FT-IR. Chapter 3 presents an update on GC*b1FT-IR, a rapidly moving field. Chapter 4 deals with the combination of FT-IR and thermal analysis. Advances in coal analyses using FT-IR are presented in Chapter 5. Reflectance studies are highlighted in Chapters 6, 7, and 8. Chapter 6 deals with structural characterizations made with Langmuir*b1Blodgett monolayers. Also in Chapter 6, the extension of DRIFT into the far-infrared region is shown to be feasible and valuable. Reflection*b1absorption surface studies (FT-IRRAS) are discussed in Chapter 8. Chapter 9 updates us on photoacoustic spectroscopy*b1FT-IR. All of the contributions are made by working experts in these areas. It is the hope that Volume 4 continues in the spirit of the purpose of these volumes, namely, to keep the scientific communities abreast of new developments in FT-IR as applied to chemical systems.