Description

Advances in Quantum Chemistry presents surveys of current developments in this rapidly developing field that falls between the historically established areas of mathematics, physics, chemistry, and biology. With invited reviews written by leading international researchers, each presenting new results, it provides a single vehicle for following progress in this interdisciplinary area. Theoretical methods have dramatically extended the reach and grasp of atmospheric scientists. This edition of Advances in Quantum Chemistry collects a broad range of articles that provide reports from the leading edge of this interaction. The chemical systems span the range from atoms to clusters to droplets. Electronic structure calculations are used to uncover the details of the breakdown and removal of emissions from the atmosphere and the simultaneous development of air pollution including ozone and particles. The anomalous enrichment of heavy isotopes in atmospheric ozone is discussed using RRKM theory, and a number of techniques are presented for calculating the effect of isotopic substitution on the absorption spectra of atmospheric molecules.

Key Features

* Publishes articles, invited reviews and proceedings of major international conferences and workshops * Written by leading international researchers in quantum and theoretical chemistry * Highlights important interdisciplinary developments

Readership

Quantum chemists, physical chemists, physicists

Table of Contents

Applications of Theoretical Methods to Atmospheric Science Matthew S. Johnson and Michael E. Goodsite Mass-Independent Oxygen Isotope Fractionation in Selected Systems: Mechanistic Considerations R. A. Marcus An Important Well Studied Atmospheric Reaction, O(1D) + H2 João Brandão, Carolina M. A. Rio and Wenli Wang Gaseous Elemental Mercury in the Ambient Atmosphere: Review of the Application of Theoretical Calculations and Experimental Studies for Determination of Reaction Coefficients and Mechanisms with Halogens and other Reactants Parisa A. Ariya, Henrik Skov, Mette M.-L. Grage and Michael Evan Goodsite Photolysis of Long-lived Predissociative Molecules as a Source of Mass-independent Isotope Fractionation: The Example of SO2 James R. Lyons A New Model of Low Resolution Absorption Cross Section Remy Jost Isotope Effects in Photodissociation: Chemical Reaction Dynamics and Implications for Atmospheres Solvejg Jørgensen, Mette M.-L. Grage, Gunnar Nyman and Matthew S. Johnson Atmospheric Photolysis of Sulfuric Acid Henrik G. Kjaergaard, Joseph R. Lane, Anna L. Garden, Daniel P. Schofield, Timothy W. Robinson and Michael J. Mills Computational Studies of the Thermochemistry of the Atmospheric Iodine Reservoirs HOI and IONO2 Paul Marshall Theoretical Investigation of Atmospheric Oxidation of Biogenic Hydrocarbons: A Critical Review Jun Zhao and Renyi Zhang Computational Study of the Reaction of n-Bromopropane with OH Radicals and Cl Atoms Claudette M. Rosado-Reyes, Mónica Martínez-Avilés, and Joseph S. Francisco Atmospheric Reaction

Details

No. of pages:
500
Language:
English
Copyright:
© 2008
Published:
Imprint:
Academic Press
Print ISBN:
9780123743350
Electronic ISBN:
9780080878058

About the editors

John Sabin

John R. Sabin was born in Springfield, Mass, and educated at Williams College (BA) and the University of New Hampshire (PhD). Following that, he was a postdoctoral at Uppsala University in Sweden, and at Northwestern University in Evanston, Ill. For the past four decades, he has worked in the Quantum Theory Project, Department of Physics, at the University of Florida as Professor of Physics. He also spent fifteen years as Associate Dean in the College of Liberal Arts & Sciences. For the past thirty years he has also been Adjungeret Professor at the University of Southern Denmark. Prof. Sabin is a fellow of the American Physical Society and has been a Fulbright Fellow. He is Editor of Advances in Quantum Chemistry, and is on the editorial boards of several journals. Prof. Sabin’s scientific interests have always been in the theory of molecular electronic structure. More recently, he has been working on the theory of interaction of fast particles, mostly protons and alpha particles, with proto-biological molecules, in terms of the transfer of energy from the projectile to the molecular target, and the outcome of that energy transfer. Such energy transfer is primarily electronic, and the initial electronic excitation results in target electronic and vibrational excitation, ionization, fragmentation, charge exchange, and other processes. The study of these processes, known as stopping power, has applications in fields from microelectronics to tumor therapy. The investigations are interesting and continue.

Erkki Brandas

Erkki Brändas was born in Tampere, Finland in July1940 and was, as a Finnish war child, transported to Sweden in February 1942, finally adopted by his Swedish parents and given Swedish citizenship in 1947. He received his FL (PhD) in 1969 and Doctor of Philosophy (habilitation) in 1972, both at Uppsala University. Except for guest professorships in USA, Germany, Israel, he spent his professional career in Uppsala employed as Assistant- Associate- and Full Professor from 1975 until retirement in 2007. In addition to serving as chairman of the department of Quantum Chemistry, he was appointed Executive Director of the Uppsala Graduate School Advanced Instrumentation and Measurement supervising the doctoral education of 35 PhD’s from 1997-2007. He has served on various international scientific and editorial boards, e.g. Wiley, Elsevier and Springer including the service as Editor-in-Chief for the International Journal of Quantum Chemistry, Series Editor of the Advances in Quantum Chemistry. He is the current President of the International Society for Theoretical Chemical Physics, since 15 years, chairing a variety of international congresses and other numerous meetings, schools and workshops. He has published over 260 articles and edited more than 50 books on fundamental theoretical chemical physics from research on atoms, molecules and solid-state physics to complex enough systems in biology – from the microscopic realm to the cosmological rank.