Introduction to Computational Chemistry

Paperback / softback by Frank Jensen

Introduction to Computational Chemistry 3rd Edition provides a comprehensive account of the fundamental principles underlying different computational methods. Fully revised and updated throughout to reflect important method developments and improvements since publication of the previous edition, this timely update includes the following significant revisions and new topics:

  • Polarizable force fields
  • Tight-binding DFT
  • More extensive DFT functionals, excited states and time dependent molecular properties
  • Accelerated Molecular Dynamics methods
  • Tensor decomposition methods
  • Cluster analysis
  • Reduced scaling and reduced prefactor methods

Additional information is available at: www.wiley.com/go/jensen/computationalchemistry3

Regular price
Sale price
Regular price
Sold out
Unit price
Tax included. Free Shipping Islandwide.


Format: Paperback / softback, 660 pages Language: English
Dimension: 188 x 33 x 246mm ISBN10: 1118825993
Weight: 1021g ISBN13: 9781118825990
Publication Date: 21 Dec 2016 Publisher: Wiley


Professor Frank Jensen, Department of Chemistry, Aarhus University, Denmark
Frank Jensen obtained his Ph.D. from UCLA in 1987 with Professors C. S. Foote and K. N. Houk, and is currently an Associate Professor in the Department of Chemistry, Aarhus University, Denmark. He has published over 120 papers and articles, and has been a member of the editorial boards of Advances in Quantum Chemistry (2005 - 2011) and the International Journal of Quantum Chemistry (2006-2011).


  • 1. Brand New
  • 2. To be eligible for a return or refund, you must make a request within 3 days of your order’s arrival as well as your order being in an unused condition.


Your order should be with you in 1-3 business days. At ByblyoShop, we are delighted to be able to offer FREE delivery on all orders

All prices shown on the ByblyoShop website are in Singaporean dollars. The prices shown are inclusive of GST.

The best way to contact us is by filling in the online contact form within the Contact Us section. The form is designed to help you specify the query that you have and then direct it to a member of our customer support team that is best suited to deal with it. We work hard to deal with your queries within 24 hours.
We also welcome to receiving any suggestions or feedback as to how we can improve. All emails are read by a member of a customer support team. Please send your emails to byblyoshop@gmail.com

At this current moment, we only deliver within Singapore. However, we hope to expand this to the whole Asia region very soon.