Steric indices are parameters used in chemistry to describe the spatial arrangement of
atoms or groups of atoms in molecules. They are important in determining the reactivity …

The engineering of catalysts with desirable properties can be accelerated by computer-
aided design. To achieve this aim, features of molecular catalysts can be condensed into …

Ultrahigh molecular weight polyethylene (UHMWPE) belongs to an emerging class of high-
performance specialty polymers with a unique set of properties and applications. The field …

Develo** more efficient catalysts remains one of the primary targets of organometallic
chemists. To accelerate reaching this goal, effective molecular descriptors and visualization …

Conspectus The most ubiquitous polymer, polyethylene (PE), is produced either through a
radical-initiated process or, more commonly, through a coordination/insertion process …

1. INTRODUCTION AND SCOPE OF REVIEW As one milestone in the history of
polymerization chemistry, the work of Ziegler and Natta has led to the rapid …

We present the theoretical and technical foundations of the Amsterdam Density Functional
(ADF) program with a survey of the characteristics of the code (numerical integration, density …

Essentials of Computational Chemistry provides a balanced introduction to this dynamic
subject. Suitable for both experimentalists and theorists, a wide range of samples and …

Polyolefins are a multibillion dollar a year industry with worldwide production in excess of
160 billion pounds and polyethylene alone in excess of 100 billion pounds. Despite this size …

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