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Books > Science & Mathematics > Chemistry > Physical chemistry > Quantum & theoretical chemistry
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Atomic Hypothesis and the Concept of Molecular Structure (Paperback, Softcover reprint of the original 1st ed. 1990)
Loot Price: R1,554
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Atomic Hypothesis and the Concept of Molecular Structure (Paperback, Softcover reprint of the original 1st ed. 1990)
Series: Tertiary Level Biology
Expected to ship within 10 - 15 working days
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"Imagination and shrewd guesswork are powerful instruments for
acquiring scientific knowledge . . . " 1. H. van't Hoff The last
decades have witnessed a rapid growth of quantum chemistry and a
tremendous increase in the number of very accurate ab initio
calculations of the electronic structure of molecules yielding
results of admirable accuracy. This dramatic progress has opened a
new stage in the quantum mechanical description of matter at the
molecular level. In the first place, highly accurate results
provide severe tests of the quantum mecha nics. Secondly, modern
quantitative computational ab initio methods can be synergetically
combined with various experimen tal techniques thus enabling
precise numerical characterization of molecular properties better
than ever anticipated earlier. However, the role of theory is not
exhausted in disclosing the fundamental laws of Nature and
production of ever increasing sets of data of high accuracy. It has
to provide additionally a means of systematization, recognition of
regularities, and ratio nalization of the myriads of established
facts avoiding in this way complete chaos. Additional problems are
represented by molecular wavefunctions provided by the modern
high-level computational quantum chemistry methods. They involve,
in principle, all the information on molecular system, but they are
so immensely complex that can not be immediately understood in
simple and physically meaningful terms. Both of these aspects,
categorization and interpretation, call for conceptual models which
should be preferably pictorial, transparent, intuitively appealing
and well-founded, being sometimes useful for semi quantitative
purposes."
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