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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Structure and Function (Hardcover, 2010 ed.)
Loot Price: R2,909
Discovery Miles 29 090
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Structure and Function (Hardcover, 2010 ed.)
Expected to ship within 10 - 15 working days
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The art of chemistry is to thoroughly understand the properties of
molecular compounds and materials and to be able to prepare novel
compounds with p- dicted and desirable properties. The basis for
progress is to fully appreciate and fundamentally understand the
intimate relation between structure and function. The thermodynamic
properties (stability, selectivity, redox potential), reactivities
(bond breaking and formation, catalysis, electron transfer) and
electronic properties (spectroscopy, magnetism) depend on the
structure of a compound. Nevertheless, the discovery of novel
molecular compounds and materials with exciting prop- ties is often
and to a large extent based on serendipity. For compounds with
novel and exciting properties, a thorough analysis of experimental
data - state-of-the-art spectroscopy, magnetism, thermodynamic
properties and/or detailed mechanistic information - combined with
sophisticated electronic structure calculations is p- formed to
interpret the results and fully understand the structure,
properties and their interrelation. From these analyses, new models
and theories may emerge, and this has led to the development of ef
cient models for the design and interpre- tion of new materials and
important new experiments. The chapters in this book therefore
describe various fundamental aspects of structures, dynamics and
physics of molecules and materials. The approaches, data and models
discussed include new theoretical developments, computational
studies and experimental work from molecular chemistry to biology
and materials science.
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