Molecular Physical Chemistry: A Computer-Based Approach Using Mathematica(r) and Gaussian A Computer-based Approach using Mathematica® and Gaussian

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  • Engels
  • Hardcover
  • 9783319410920
  • 25 januari 2017
  • 457 pagina's
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Samenvatting

This is the physical chemistry textbook for students with an affinity for computers! It offers basic and advanced knowledge for students in the second year of chemistry masters studies and beyond. In seven chapters, the book presents thermodynamics, chemical kinetics, quantum mechanics and molecular structure (including an introduction to quantum chemical calculations), molecular symmetry and crystals. The application of physical-chemical knowledge and problem solving is demonstrated in a chapter on water, treating both the water molecule as well as water in condensed phases.

This book presents the subjects on the basis of examples, exploring and running computer programs (Mathematica®), discussing the results of molecular orbital calculations (performed using Gaussian) on small molecules and turning to suitable reference works to obtain thermodynamic data. Selected Mathematica® codes are explained at the end of each chapter and cross-referenced with the text, enabling students to plot functions, solve equations, fit data, normalize probability functions, manipulate matrices and test physical models. In addition, the book presents clear and step-by-step explanations and provides detailed and complete answers to all exercises. In this way, it creates an active learning environment that can prepare students for pursuing their own research projects.

Students who are not yet familiar with Mathematica® or Gaussian will find a valuable introduction to computer-based problem solving in the molecular sciences.

Productspecificaties

Inhoud

Taal
en
Bindwijze
Hardcover
Oorspronkelijke releasedatum
25 januari 2017
Aantal pagina's
457
Illustraties
Nee

Betrokkenen

Hoofduitgeverij
Springer

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Editie
1
Extra groot lettertype
Nee
Product breedte
164 mm
Product hoogte
35 mm
Product lengte
243 mm
Studieboek
Ja
Verpakking breedte
156 mm
Verpakking hoogte
27 mm
Verpakking lengte
230 mm
Verpakkingsgewicht
407 g

EAN

EAN
9783319410920

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