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| ADVANCES IN QUANTUM CHEMISTRY, 55
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 Applications of Theoretical Methods to Atmospheric Science
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Michael Goodsite, Department of Physics and Chemistry, University of Southern Denmark, Odense
Matthew Johnson, Copenhagen Center for Atmospheric Research, Department of Chemistry, University of Copenhagen, Denmark
John Sabin, Quantum Theory Project, University of Florida, USA
Erkki Brandas, Uppsala University, Sweden
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.
Audience
Quantum chemists, physical chemists, physicists
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
Jo?o Brand?o, 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 J?rgensen,
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,
Monica Martinez-Aviles, 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. Raul 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 Kurten and Hanna Vehkamaki
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
Bibliographic & ordering Information
Hardbound,
ISBN-13: 978-0-12-374335-0, 500 pages, publication date: MAY-2008
Imprint: ACADEMIC PRESS
Price: Order form
GBP 110
USD 215
EUR 160
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Last update: 2 Jul 2008
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