This book explores the way in which quantum theory has become
central to our understanding of the behaviour of atoms and
molecules and the way in which this underlies so many of the
experimental measurements we make, how we interpret those
experiments and the language which we use to describe our results.
It attempts to provide an account of the quantum theory and some of
its applications to chemistry. The subject matter develops as
follows: Chapter 1 considers the place of theory in science,
emphasising in particular the significance of hypotheses,
postulates and laws; Chapter 2 gives an account, in approximately
historical sequence, of the development of the quantum theory
paying particular attention to the emerging experimental data and
the new theoretical concepts developed for their interpretation;
Chapters 3 and 4 describe some fundamental details of the theory
with explanations and simple, chemically-relevant examples.
Emphasis is laid on what we can and cannot know and comparisons
with classical, macroscopic mechanics are made wherever possible;
The remaining chapters (5-12) describe the quantum mechanics
involved in the important techniques (especially IR, NMR and
electronic spectroscopy) and theoretical concepts (the chemical
bond, molecular magnetism) that underlie our modern views of
molecular structure and function. Here also calculations relevant
to chemical problems are described in detail; Many aspects of the
mathematics of quantum theory are placed in the 10 appendices which
also provide a valuable source of reference material on units,
conversion factors and mathematical functions useful in
quantum-mechanical calculations; Most chapters include boxed text
that expandson and explains the material in the main text and
problems are presented at the end of each chapter.
This book is for researchers working on experimental aspects of
chemistry and the allied sciences at all levels, from advanced
undergraduates to experienced research project leaders, wishing to
improve, by self-study or in small research-orientated groups,
their understanding of the ways in which quantum mechanics can be
applied to their problems. The book also aims to provide useful
background material for teachers of quantum mechanics courses and
their students.
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