Overview

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.

Full Product Details

Author:   John R. Sabin (Professor of Physics and Chemistry Emeritus, University of Florida, and Adjungeret Professor, University of Southern Denmark) ,  Erkki J. Brändas (Department of Quantum Chemistry, Angstrom Laboratory, Uppsala University, Uppsala, Sweden) ,  Michael M.E. Goodsite (Department of Physics and Chemistry, University of Southern Denmark, Odense) ,  Matthew S. Johnson (Copenhagen Center for Atmospheric Research, Department of Chemistry, University of Copenhagen, Denmark)
Publisher:   Elsevier Science Publishing Co Inc
Imprint:   Academic Press Inc
Volume:   55
Dimensions:   Width: 16.50cm , Height: 3.30cm , Length: 24.00cm
Weight:   1.100kg
ISBN:  

9780123743350

ISBN 10:   0123743354
Pages:   500
Publication Date:   12 June 2008
Audience:   Professional and scholarly ,  Professional & Vocational
Format:   Hardback
Publisher's Status:   Out of Print
Availability:   In Print  
Limited stock is available. It will be ordered for you and shipped pending supplier's limited stock.

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 Reactions of Oxygenated Volatile Organic Compounds + OH radicals: Role of Hydrogen-Bonded Intermediates and Transition States Annia Galano and J. Raúl Alvarez-Idaboy Theoretical and Experimental Studies of the Gas-Phase Cl-Atom Initiated Reactions of Benzene and Toluene A. Ryzhkov, P.A. Ariya, F. Raofie, H. Niki, and G.W. Harris Tropospheric Chemistry of Aromatic Compounds Emitted from Anthropogenic Sources Jean M Andino and Annik Vivier-Bunge Elementary Processes in Atmospheric Chemistry: Quantum Studies of Intermolecular Dimer Formation and Intramolecular Dynamics Glauciete S. Maciel, David Cappelletti, Gaia Grossi, Fernando Pirani and Vincenzo Aquilanti The Study of Dynamically Averaged Vibrational Spectroscopy of Atmospherically Relevant Clusters using ab initio Molecular Dynamics in Conjunction with Quantum Wavepackets Srinivasan S. Iyengar, Xiaohu Li and Isaiah Sumner From Molecules to Droplets Allan Gross, Ole John Nielsen and Kurt V. Mikkelsen Theoretical Studies of the Dissociation of Sulfuric Acid and Nitric Acid at Model Aqueous Surfaces Roberto Bianco, Shuzhi Wang and James T. Hynes Investigating Aatmospheric Sulfuric Acid- water-ammonia Particle Formation using Quantum Chemistry Theo Kurtén and Hanna Vehkamäki The Impact of Molecular Interactions on Atmospheric Aerosol Radiative Forcing Shawn M. Kathmann, Gregory K. Schenter and Bruce C. Garrett Computational Quantum Chemistry: A New Approach to Atmospheric Nucleation Alexey B. Nadykto, Anas Al Natsheh, Fangqun Yu, Kurt V. Mikkelsen and Jason Herb

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Author Information

I was born in Springfield, Mass, and Educated at Williams College (BA) and the University of New Hampshire (PhD). Following that, I was a postdoctoral at Uppsala University in Sweden, and at Northwestern University in Evanston. For the past four decades, I have worked in the Quantum Theory Project, Department of Physics, at the University of Florida. My interests have always been in the theory of molecular electronic structure. More recently, I have been working on the 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.

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