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Book Categories |
| Ch. 1 | Elementary Concepts in Density Functional Theory | 3 |
| Ch. 2 | Explicit Density Functionals for the Energy by Means of Pade Approximants to Local-Scaling Transformations | 25 |
| Ch. 3 | Inhomogeneous Electron Gas: Transcending Semiclassical Thomas-Fermi-Dirac Method | 67 |
| Ch. 4 | An Introduction to High-precision Computational Methods for Simple Atomic and Molecular Systems | 99 |
| Ch. 5 | Density Functional Theory in the Classical Domain | 151 |
| Ch. 6 | Density Functional Theory, the Exchange Hole, and the Molecular Bond | 207 |
| Ch. 7 | Nonlocal Weighted Density Approximation to Exchange, Correlation and Kinetic Energy in Density Functional Theory | 239 |
| Ch. 8 | Generalized Gradient Approximations to Density Functional Theory: Comparison with Exact Results | 295 |
| Ch. 9 | On Degeneracy, Near-degeneracy and Density Functional Theory | 327 |
| Ch. 10 | A Simple Method of Removing Spin Contamination from Unrestricted Kohn-Sham Density Functional Calculations | 359 |
| Ch. 11 | Time-Dependent Density Functional Response Theory of Molecular Systems: Theory, Computational Methods, and Functionals | 391 |
| Ch. 12 | Advances in Methodologies for Linear-scaling Density Functional Calculations | 441 |
| Ch. 13 | A Divide-and-conquer Implementation of the Linear Combination of Gaussian-type Orbitals Density Functional (LCGTO-DF) Method | 465 |
| Ch. 14 | The Douglas-Kroll-Hess Approach to Relativistic Density Functional Theory: Methodological Aspects and Applications to Metal Complexes and Clusters | 497 |
| Ch. 15 | Adsorption Complexes on Oxides: Density Functional Model Cluster Studies | 569 |
| Ch. 16 | Density Functional Theory as a Tool in Studying Catalytic Processes | 621 |
| Ch. 17 | DFT Study of Nickel: Towards the MD Simulation of the Nickel-WaterInterface | 649 |
| Ch. 18 | Systematic Model Chemistries Based on Density Functional Theory: Comparison with Traditional Models and with Experiment | 679 |
| Ch. 19 | Computing Transition State Structures with Density Functional Theory Methods | 709 |
| Ch. 20 | Density Functional Theory as a Tool for the Prediction of the Properties in Molecules with Biological and Pharmacological Significance | 743 |
| Ch. 21 | Density Functional Theory Concepts and Techniques for Studying Molecular Charge Distributions and Related Properties | 773 |
| Ch. 22 | Density Functional Calculations of Heats of Reaction | 811 |
| Index | 825 |
| Price | Condition | Delivery | Seller | Action |
| $449.00 | Digital |
| WonderClub |
Heather Nash
reviewed Recent Developments and Applications of Modern Density Functional Theory on November 05, 2017 Recent Developments and Applications of Modern Density Functional Theory
This review is for Principles of Modern Chemistry, 6th ed. by Oxtoby, Campion & Gillis. (A webpage for this edition does not exist - although, incidentally, one for the solution manual does.)
This book presents itself as a general chemistry text - which it is, for the most part - but not one I would recommend to someone who is learning chemistry for the first time. In fact, I would only recommend this text to someone who is specifically interested in physical chemistry and developing the foundation to learn more.
The first third of the book, for instance, is a moderately difficult, yet somewhat superficial, introduction to quantum mechanics. The chapters progress in a microscopic-to-macroscopic format, an understandable strategy, but one that runs the risk of intimidating readers with highly inelegant math and counterintuitive concepts. (The latter chapters are much easier.)
I also felt this book was a tad verbose. The page dimensions are not small, the font is not large, and it still takes 900 pages to explain chemistry - which may seem like a standard length to some, but, I assure you, it could have been more concise. (Compare to Griffith's vastly more thorough introduction to QM in 400 pages.)
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