New PDF release: Molecular Physical Chemistry: A Computer-based Approach

By José J. C. Teixeira-Dias

This is the actual chemistry textbook for college kids with an affinity for pcs! It deals simple and complex wisdom for college students within the moment 12 months of chemistry masters stories and past. In seven chapters, the ebook provides thermodynamics, chemical kinetics, quantum mechanics and molecular constitution (including an creation to quantum chemical calculations), molecular symmetry and crystals. the applying of physical-chemical wisdom and challenge fixing is proven in a bankruptcy on water, treating either the water molecule in addition to water in condensed phases.
Instead of a conventional textbook top-down technique, this publication offers the themes at the foundation of examples, exploring and working machine courses (Mathematica®), discussing the result of molecular orbital calculations (performed utilizing Gaussian) on small molecules and turning to acceptable reference works to procure thermodynamic facts. chosen Mathematica® codes are defined on the finish of every bankruptcy and cross-referenced with the textual content, allowing scholars to devise features, remedy equations, healthy info, normalize likelihood services, control matrices and try actual versions. moreover, the e-book offers transparent and step by step motives and gives exact and entire solutions to all routines. during this approach, it creates an energetic studying setting which can organize scholars for pursuing their very own examine initiatives extra down the road.
Students who're no longer but conversant in Mathematica® or Gaussian will discover a helpful creation to computer-based challenge fixing within the molecular sciences. different laptop functions can then again be used. for each bankruptcy studying objectives are in actual fact indexed firstly, in order that readers can simply spot the highlights, and a word list finally of the bankruptcy deals a brief look-up of significant terms.

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Molecular Physical Chemistry: A Computer-based Approach using Mathematica® and Gaussian by José J. C. Teixeira-Dias


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