“Practical Aspects of Computational Chemistry” presents contributions on a range of aspects of Computational Chemistry applied to a variety of research fields. The chapters focus on recent theoretical developments which have been used to investigate structures and properties of large systems with minimal computational resources. Studies include those in the gas phase, various solvents, various aspects of computational multiscale modeling, Monte Carlo simulations, chirality, the multiple minima problem for protein folding, the nature of binding in different species and dihydrogen bonds, carbon nanotubes and hydrogen storage, adsorption and decomposition of organophosphorus compounds, X-ray crystallography, proton transfer, structure-activity relationships, a description of the programs of the European Union for chemical regulatory purposes, reactions of nucleic acid bases with endogenous and exogenous reactive oxygen species and different aspects of nucleic acid bases, base pairs and base tetrads.
You may also like
Smith’s Organic Chemistry continues to breathe new life into the organic chemistry world. This new sixth edition retains its popular delivery of organic...
Organonickel chemistry plays an increasingly important role in organic chemistry, and interest in this topic is now just as keen as in organopalladium...
- Nutrition for Veterinary Technicians and Nurses by Ann Wortinger PDF
- Modern Physics 4th Edition by Kenneth S. Krane PDF
- Physics for Scientists and Engineers with Modern Physics 9th Edition by Raymond A. Serway PDF
- Elementary Textbook on Physics Vol 1by Landsberg PDF
- Introduction to Particle Physics by Dong Sheng Du PDF