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Metal surfaces and interfaces: Properties from density functional theory

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posted on 2024-10-30, 16:21 authored by Irene YarovskyIrene Yarovsky, Michelle SpencerMichelle Spencer, Ian Snook
While its results normally complement the information obtained by chemical experiments, computer computations can in some cases predict unobserved chemical phenomena Electronic-Structure Computational Methods for Large Systems gives readers a simple description of modern electronic-structure techniques. It shows what techniques are pertinent for particular problems in biotechnology and nanotechnology and provides a balanced treatment of topics that teach strengths and weaknesses, appropriate and inappropriate methods. It's a book that will enhance the your calculating confidence and improve your ability to predict new effects and solve new problems."-- "Provides a simple description of modern electronic-structure techniques. Shows what techniques are pertinent for particular problems in biotechnology and nanotechnology. Provides a balanced treatment of the topics that teaches strengths and weaknesses, appropriate and inappropriate methods. Provides confidence to calculators that their results are useful for predicting new effects and for interpreting newly presented problem scenarios - reference tool for industrial scientists who develop applications as well as a teaching aid for new graduate students in computational chemistry, physics, biochemistry, biotechnology, materials science and nanoscience

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  1. 1.
    ISBN - Is published in 9780470487884 (urn:isbn:9780470487884)
  2. 2.

Start page

515

End page

560

Total pages

46

Outlet

Computational Methods for Large Systems: Electronic Structure approaches for Biotechnology and Nanotechnology

Editors

J. R. Reimers

Publisher

John Wiley and Sons

Place published

Hoboken, New Jersey

Language

English

Copyright

© 2011 by John Wiley and Sons Inc

Former Identifier

2006019644

Esploro creation date

2020-06-22

Fedora creation date

2011-12-15

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