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Chapter 2

Introduction to Quantum Behaviour – A Primer

There are many computational procedures available to calculate atomistic systems ranging from ab initio methods, whereby a system is calculated from scratch, i.e. without prior knowledge of the chemical system, to (semi)empirical methods that include experimentally derived parameters (e.g. bond stre...

Publication details

Print publication date
27 Mar 2009
Copyright year
2009
Print ISBN
978-0-85404-122-0
PDF eISBN
978-1-84755-997-5

From the book series:
RSC Biomolecular Sciences