Structure and Periodicity

The Cartesian coordinate system is usually chosen such that the z axis and the yz plane are parallel to the c axis and the b axis of the crystal lattice, respectively. Then the elements of T are given by 

There exist several ways to treat the zeolite framework structure in modeling. One can take into account either the periodicity of the full lattice or only a small part of the lattice, the latter sometimes being called the cluster approach. The cluster approach is often used in quantum chemistry studies because it requires less computer time. As long as specific properties connected with the framework topology (e.g., the dimensions of the channels) are not dominating the outcome of the calculations, this approach can provide valuable informa- 

Further, one has to decide whether to keep the framework fixed—the rigid framework approximation—or to treat the framework as flexible. The rigid framework approximation is, for reasons of computer time, often used in molecular dynamics and Monte Carlo studies, whereas for less CPU-intensive energy minimization studies the framework is usually treated as flexible. 

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Schinke R, Weide K, Heumann B and Engel V 1991 Diffuse structures and periodic orbits in the photodissociation of small polyatomic molecules Faraday Discuss. Chem. Soc. 91 31... 

J. Barrett, Atomic Structure and Periodicity, Royal Society of Chemistry, Cambridge, 2001. This book is meant to act as preliminary reading for the present text, but covers the subject matter in a largely non-mathematical way. The theoretical basis of the Periodic Table is dealt with in considerable detail and is followed by discussions of the periodicities of the main physical and chemical properties of the elements. 

J. Barren, Atomic Structure and Periodicity, RCS Tutorial Chemistry Text No 9, The Royal Society of Chemistry. Cambridge. 2002. 

Main Croup Chemistry W Henderson d- and f-Block Chemistry C J Jones Slructure and Bonding J BarrelI Functional Group Chemistry J R Hanson Organotransilion Metal Chemistry A F Hill Heterocyclic Chemistry M Sainsbury Atomic Structure and Periodicity J BarrelI Thermodynamics and Statistical Mechanics J M Seddon and J D Gale Basic Atomic and Molecular Spectroscopy J M Hollas... 

Safety of chemicals. Scientific notation, conversions Periodic Table of Elements Naming simple compounds Atomic structure and periodicity Balancing equations Drawing molecules Interaction of light with molecules Chlorofluorocarbons (CFC s) and ozone Development of green pesticides... 

Heterocyclic Chemistry M Sainsbury Atomic Structure and Periodicity J Barrett... 

Chapter 9 Atoms II—Atomic Structure and Periodic Properties... 

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