Pub. Date:
Elsevier Science
Computational Materials Science

Computational Materials Science

by Elsevier Science, Jerzy Leszczynski
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Product Details

ISBN-13: 9780444513007
Publisher: Elsevier Science
Publication date: 03/19/2004
Series: Theoretical and Computational Chemistry Series , #15
Pages: 472
Product dimensions: 1.06(w) x 6.14(h) x 9.21(d)

Table of Contents

Chaos and Chemistry: Simple Models to Understand Chaos in Chemistry
Reaction Network Analysis. The Kinetics and Mechanism of Water-Gas-Shift Reaction on Cu(111)
Clusters, the Intermediate State of Matter
Computer Simulation of Fullerenes and Fullerites
Theoretical Approaches to the Design of Functional Nanomaterials
Methods and Implementation of Robust, High-Precision Gaussian Basis DFT Calculations for Periodic Systems: The GTOFF Code
Many-Body Luminescence from Highly Excited
Quantum-Confined Structures
Spin-Polarised Surfaces: Current State of Density Functional Theory Investigations
Simulating the Structure and Reactivity of Oxide Surfaces from First Principles
A Theory-Guided Design of Bimetallic Nanoparticle Catalysts for Fuel Cell Applications
Supported Metal Species and Adsorption Complexes on Metal Oxides and in Zeolites: Density Functional Cluster Model Studies

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