This book targets a broad readership for young
researchers(Postgraduate students) in X-ray crystallography and
Quantum Chemistry as it contains a wide and comprehensive coverage
of all important aspects of the subject including up-to- date
survey of recent revolutionary advances. Molecular structure
determination using crystallographic technique of pyrazolo 3,4-d]
pyrimidines, naturally occurring drugs as well as synthetic
molecular crystals has been discussed.The optimized structures and
the electronic properties of the molecules using quantum mechanical
methods have also been discussed and results have been compared
with crystallographic data, which could enable one to understand
and evaluate different quantum mechanical methods. It should be a
valuable asset to established researchers in this area due to very
detailed explanation of the behavior of aromatic - interactions on
the basis of experimental and theoretical results. The
crystallographic and theoretical investigations on some synthetic
and natural drugs attract the research in the area of drug design
using Molecular modeling of the reported compounds with suitable
targets.
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