We show that the structural and electronic properties of UO2NPs (2–3 nm) are similar to those bulk UO2under inert conditions, with U(iv) as dominating oxidation state, though NPs oxidize time under X-ray beam.

A benchmark of several popular methods, Associative Neural Networks (ANN), Support Vector Machines (SVM), k Nearest Neighbors (kNN), Maximal Margin Linear Programming (MMLP), Radial Basis Function Neural Network (RBFNN), and Multiple Linear Regression (MLR), is reported for quantitative-structure property relationships (QSPR) of stability constants logK1 for the 1:1 (M:L) and logbeta2 for 1:2 c...

Assessing exposures from the thousands of chemicals in commerce requires quantitative information on the chemical constituents of consumer products. Unfortunately, gaps in available composition data prevent assessment of exposure to chemicals in many products. Here we propose filling these gaps via consideration of chemical functional role. We obtained function information for thousands of chem...

Biography: Alan R. Katritzky (b. 1928, London, U. K.) is Kenan Professor of Chemistry and Director of the Institute for Heterocyclic Compounds at the University of Florida. A light-hearted account of his life appeared in J. Het. Chem, 31,569-602 (1994), and an overview of his scientific work in Heterocycles, 37,3-130 (1994). He is actively engaged in research and teaching, editing, industrial c...

New molecular descriptors based on statistical descriptions of the local ionization potential, local electron affinity and the local polarizability at the surface of the molecule are proposed. The significance of these descriptors has been tested by calculating them for the Maybridge database in addition to our set of 26 descriptors described previously. The new descriptors show little correlat...

despite the title of intellectual property law, this legal system differs from the classic property law in several aspects, inter alia, the time of protection, the standards for protection, the scope of protection and the enforcement of intellectual property rights. these limitations and differences are largely because of the economic considerations regarding different kinds of positive efficie...