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Keep Smiling

Computational materials science / edited by Jerzy Leszczynski.

Contributor(s): Material type: TextTextPublication details: Amsterdam ; Boston : Elsevier, 2004.Edition: 1st edDescription: xiii, 457 p. ill. ; 25 cmISBN:
  • 0444513000 (alk. paper)
Subject(s): DDC classification:
  • 620.11011 L644
Contents:
1. Chaos and Chemistry: Simple Models to Understand Chaos in Chemistry. ; 2. Reaction Network Analysis. The Kinetics and Mechanism of Water-Gas-Shift Reaction on Cu(111). ; 3. Clusters, the Intermediate State of Matter. ; 4. Computer Simulation of Fullerenes and Fullerites. ; 5. Theoretical Approaches to the Design of Functional Nanomaterials. ; 6. Methods and Implementation of Robust, High-Precision Gaussian Basis DFT Calculations for Periodic Systems: The GTOFF Code. ; 7. Many-Body Luminescence from Highly Excited ; 8. Quantum-Confined Structures. ; 9. Spin-Polarised Surfaces: Current State of Density Functional Theory Investigations. ; 10. Simulating the Structure and Reactivity of Oxide Surfaces from First Principles. ; 11. A Theory-Guided Design of Bimetallic Nanoparticle Catalysts for Fuel Cell Applications. ; 12. Supported Metal Species and Adsorption Complexes on Metal Oxides and in Zeolites: Density Functional Cluster Model Studies.
List(s) this item appears in: Computer_2022
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Item type Current library Call number Status Date due Barcode
Books Books UE-Central Library 620.11011 J57 (Browse shelf(Opens below)) Available T898

includes index

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

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