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Introduction to Computational Chemistry

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9781118825952 - Introduction to Computational Chemistry
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Article description

Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics:

* Polarizable force fields
* Tight-binding DFT
* More extensive DFT functionals, excited states and time dependent molecular properties
* Accelerated Molecular Dynamics methods
* Tensor decomposition methods
* Cluster analysis
* Reduced scaling and reduced prefactor methods  

Specifications

ISBN/EAN 9781118825952
Type ebook i
License duration Read ebook online: 365 days
Read ebook offline: perpetual
Can't be ordered

Article description

Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics:

* Polarizable force fields
* Tight-binding DFT
* More extensive DFT functionals, excited states and time dependent molecular properties
* Accelerated Molecular Dynamics methods
* Tensor decomposition methods
* Cluster analysis
* Reduced scaling and reduced prefactor methods  

Specifications

ISBN/EAN 9781118825952
Type ebook i
License duration Read ebook online: 365 days
Read ebook offline: perpetual