TY  - BOOK
AU  - Leszczynski,Jerzy
TI  - Computational materials science / 
SN  - 0444513000 (alk. paper)
U1  - 620.11011 
PY  - 2004///
CY  - Amsterdam, Boston
PB  - Elsevier
KW  - Materials science
KW  - Mathematical models
KW  - Computer simulation
N1  - 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

ER  -