Download Molecular Physical Chemistry: A Computer-based Approach by José J. C. Teixeira-Dias PDF

By José J. C. Teixeira-Dias

This is the actual chemistry textbook for college students with an affinity for pcs! It bargains easy and complicated wisdom for college students within the moment yr of chemistry masters reviews and past. In seven chapters, the e-book provides thermodynamics, chemical kinetics, quantum mechanics and molecular constitution (including an advent to quantum chemical calculations), molecular symmetry and crystals. the appliance of physical-chemical wisdom and challenge fixing is validated in a bankruptcy on water, treating either the water molecule in addition to water in condensed phases.
Instead of a standard textbook top-down procedure, this ebook offers the themes at the foundation of examples, exploring and operating 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 information. chosen Mathematica® codes are defined on the finish of every bankruptcy and cross-referenced with the textual content, allowing scholars to devise services, resolve equations, healthy info, normalize likelihood features, manage matrices and try out actual versions. furthermore, the e-book offers transparent and step by step reasons and offers unique and whole solutions to all routines. during this means, it creates an lively studying surroundings that may arrange 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 necessary creation to computer-based challenge fixing within the molecular sciences. different desktop purposes can however be used. for each bankruptcy studying objectives are sincerely indexed firstly, in order that readers can simply spot the highlights, and a thesaurus in any case of the bankruptcy bargains a brief look-up of significant terms.

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