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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Metallic Systems - A Quantum Chemist's Perspective (Hardcover)
Loot Price: R6,310
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Metallic Systems - A Quantum Chemist's Perspective (Hardcover)
Expected to ship within 12 - 19 working days
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Metallic systems are ubiquitous in daily life. They play key roles,
for example, in the chemistry of many biomolecules, ionic
solutions, nanoparticles, and catalytic processes. They may be in
solid, liquid, or gaseous form. The interactions of other molecules
with metal surfaces are of considerable importance. Each of these
topics is addressed in Metallic Systems. As we have entered the age
where theoretical approaches are sufficiently mature to complement
and guide experiments in many areas, an understanding of the
theoretical tools and approaches to studying metallic systems is
essential. Metallic Systems is concerned with enhancing our
understanding of the diverse chemistry of metals and
metal-containing systems and the applicability of modern quantum
chemistry methodologies to study them. Metallic Systems presents
brief overviews of most of the popular approaches to quantum
chemical treatments and computations of chemical systems that
include metals. Attention is given to the potentialities and
limitations of first principles Density Functional Theory and
dynamics methods (e.g. QM/MM approaches). The book emphasizes the
importance of using methods that take into account crucial physical
features such as explicit solvation, temperature and dynamics of
metal-containing systems. It emphasizes first principles
calculations in providing reliable and detailed information
concerning electronic structures, mechanisms, and reaction
energetics. Accessible to newcomers to the field, Metallic Systems
overviews theory underpinning current methodologies. It presents a
practical set of modalities for studying metallic systems, assesses
current technological barriers, and examines future challenges and
topics of exploration.
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