Density functional theory: a practical introduction David Sholl, Janice A Steckel
Publisher: Wiley

Quantum chemical calculations based on density functional theory (DFT) methods were performed on indigo blue (IB), methylene blue (MB), and crystal violet (CV) molecules as inhibitors for iron corrosion in acid media. The presentation is … aimed at a general scientific audience (physics. Density Functional Theory: A Practical Introduction by David Sholl (Author), Janice A Steckel (Author). The electronic structures as well as reactivity elucidate parameters which could be practical in designing novel high-efficiency, cheap, and eco-friendly inhibitors by quantitative structure-activity relationship (QSAR) method. Zhang: “Common Waveform Analysis: a new and practical generalization of Fourier analysis”, Kluwer Academic Publishers, Boston, MA, 2000. Density Functional Theory: A Practical Introduction: David Sholl. I read your article Recommended further reading: Y. FreeScience - Books - Density Functional Theory Books - Density Functional Theory. Demonstrates how anyone in math, science, and engineering can grasp DFT calculations. The Commissioner notably recommends that the UK authorities consider regulating DFT by introducing special legislation that would be fully in conformity with the legislative standards laid down by the European Convention on Human Specific provision in United Kingdom legislation for detention within the DFT process is considered to be unnecessary given that, in practical terms, it is difficult to envisage providing additional safeguards over and above those that already exist. Density Functional Theory: A Practical Introduction. DFT calculations were in acid media. The DST and DCT have a twice as dense “frequency grid” spacing than the DFT, which is why JOS is introducing the factor 2 (btw., if you take a close look on the actual DFT in listing 1.2 on my page you'll see that it is also using the factor 2 spacing).