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Understanding the fundamental properties of metal nanoclusters is a major challenge for researchers and has been a subject of many investigations. Theoretical modeling is an indispensable tool for elucidating the characteristics at nanoscale. In this fascinating text, the authors provide some interesting findings of their Density Functional Theory (DFT) based investigations on small palladium clusters along with a brief review of the experimental and theoretical aspects of the field - an important and relevant area in catalytic science. Small gas phase palladium clusters exhibit highly...

Cancer has a high mortality rate worldwide till date. Several approaches viz., surgery, radiation therapyand chemotherapy have been employed to treat cancer. Since new anticancer drugs have been discovered, thecuring rate of chemotherapy has improved over thelast decades. Designing and development of new drugsfrom the laboratory bench to the clinic is a complex, expensive, and very time consuming task. In thiscontext rational computer-aided drug design with thehelp of available data, especially the insilico-based quantitative structure-activityrelationship (QSAR) techniques have emerged as...