|
Books > Science & Mathematics > Physics > Quantum physics (quantum mechanics)
|
Buy Now
A New-Generation Density Functional - Towards Chemical Accuracy for Chemistry of Main Group Elements (Paperback, 2014 ed.)
Loot Price: R1,840
Discovery Miles 18 400
|
|
|
A New-Generation Density Functional - Towards Chemical Accuracy for Chemistry of Main Group Elements (Paperback, 2014 ed.)
Series: SpringerBriefs in Molecular Science
Expected to ship within 10 - 15 working days
|
A New-Generation Density Functional: Towards Chemical Accuracy for
Chemistry of Main Group Elements covers the most recent progress in
the development of a new generation of density functional theory
(DFT) for accurate descriptions of thermochemistry, thermochemical
kinetics, and nonbonded interactions of main group molecules. In
this book, the authors present the doubly hybrid density
functionals (DHDFs), which dramatically improve the accuracy for
predictions of critical properties by including the role of the
virtual (unoccupied) orbitals. The authors not only discuss the
theoretical bases of three classes of DHDFs but also demonstrate
their performance using some well-established benchmarking data
sets.
General
Is the information for this product incomplete, wrong or inappropriate?
Let us know about it.
Does this product have an incorrect or missing image?
Send us a new image.
Is this product missing categories?
Add more categories.
Review This Product
No reviews yet - be the first to create one!
|
|
Email address subscribed successfully.
A activation email has been sent to you.
Please click the link in that email to activate your subscription.
Welcome to Loot.co.za!
Sign in / Register |Wishlists & Gift Vouchers |Help | Advanced search
