Advances in Quantum Chemistry: Applications of Theoretical Methods to Atmospheric Science Volume 55 (Hardcover)

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
Joao Brandao, 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, 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