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Advances in Quantum Chemical Topology Beyond QTAIM provides a
complete overview of the field, starting with traditional methods
and then covering key steps to the latest state-of-the-art
extensions of QTAIM. The book supports researchers by compiling and
reviewing key methods, comparing different algorithms, and
providing computational results to show the efficacy of the
approaches. Beginning with an introduction to quantum chemistry,
QTAIM and key extensions, the book goes on to discuss interacting
quantum atoms and related energy properties, explores partitioning
methods, and compares algorithms for QTAIM. Partitioning schemes
are them compared in more detail before applications are explored
and future developments discussed. Drawing together the knowledge
of key authorities in the area, this book provides a comprehensive,
pedogeological guide to this insightful theory for all those
interested in modelling, exploring and understanding molecular
properties.
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