Coverart for item
The Resource Molecular Physical Chemistry : A Computer-based Approach using Mathematica® and Gaussian, by José J. C. Teixeira-Dias, (electronic resource)

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

Label
Molecular Physical Chemistry : A Computer-based Approach using Mathematica® and Gaussian
Title
Molecular Physical Chemistry
Title remainder
A Computer-based Approach using Mathematica® and Gaussian
Statement of responsibility
by José J. C. Teixeira-Dias
Creator
Contributor
Author
Subject
Language
eng
Summary
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
Is part of
Image bit depth
0
Literary form
non fiction
Molecular Physical Chemistry : A Computer-based Approach using Mathematica® and Gaussian, by José J. C. Teixeira-Dias, (electronic resource)
Label
Molecular Physical Chemistry : A Computer-based Approach using Mathematica® and Gaussian, by José J. C. Teixeira-Dias, (electronic resource)
Link
http://libproxy.rpi.edu/login?url=http://dx.doi.org/10.1007/978-3-319-41093-7
Publication
Related Contributor
Related Location
Related Agents
Related Authorities
Related Subjects
Antecedent source
mixed
Carrier category
online resource
Carrier category code
cr
Carrier MARC source
rdacarrier
Color
not applicable
Content category
text
Content type code
txt
Content type MARC source
rdacontent
Contents
Thermodynamics -- Chemical Kinetics -- Schrödinger Equation -- Molecular Symmetry -- Molecular Structure -- Crystals -- Water -- Appendix -- Solutions to the Exercises
http://library.link/vocab/cover_art
https://contentcafe2.btol.com/ContentCafe/Jacket.aspx?Return=1&Type=S&Value=9783319410937&userID=ebsco-test&password=ebsco-test
Dimensions
unknown
http://library.link/vocab/discovery_link
{'f': 'http://opac.lib.rpi.edu/record=b4258344'}
Extent
XIV, 457 p. 270 illus., 17 illus. in color.
File format
multiple file formats
Form of item
electronic
Isbn
9783319410937
Level of compression
uncompressed
Media category
computer
Media MARC source
rdamedia
Media type code
c
Other physical details
online resource.
Quality assurance targets
absent
Reformatting quality
access
Specific material designation
remote

Library Locations

    • Folsom LibraryBorrow it
      110 8th St, Troy, NY, 12180, US
      42.729766 -73.682577
Processing Feedback ...