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Next Generation Quantum Theory of Atoms in Molecules: From Stereochemistry to Photochemistry and Molecular Devices
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Barnes and Noble
Next Generation Quantum Theory of Atoms in Molecules: From Stereochemistry to Photochemistry and Molecular Devices
Current price: $179.99
Barnes and Noble
Next Generation Quantum Theory of Atoms in Molecules: From Stereochemistry to Photochemistry and Molecular Devices
Current price: $179.99
Loading Inventory...
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The topological origins of Quantum Theory of Atoms in Molecules (QTAIM) before explaining the highlights and consequences of the developments of Next-Generation QTAIM (NG-QTAIM) that is a 3-D vector-based realization of QTAIM. The book compiles all developments and extensions of Next-Generation QTAIM in one place for easy reference for those engaged in theoretical/computational chemistry. Essential insights into molecular switch functioning not available from the energy barrier or any scalar measures are presented along with a new measure toassess the efficiency of rotary molecular motors. The book also discusses how the treatment of external forces such as electric fields and laser irradiation is included in NG-QTAIM. This book benefits theoretical/computational chemists/physics/engineers, students (graduate and undergraduate) and chemical/pharmaceutical industry researchers who carry out chemical computations in universities and industries.
Where appropriate,
and
are provided along with a list of the
in addition to a glossary table in the summary sections. Where applicable each chapter concludes by outlining benefits, limitations and suggestions for further investigations.
All our NG-QTAIM publications are available as pre-prints in the form of .pdf files along with the corresponding supplementary materials at our BEACON website www.beaconresearch.org.