A molecular-scale interpretation of interfacial processes is often downplayed in the analysis of traditional water treatment methods. However, such an approach is critical for the development of enhanced performance in traditional desalination and water treatments. Water confined between surfaces, within channels, or in pores is ubiquitous in technology and nature. Its physical and chemical pro...

In this paper, we discuss how we safely exchanged proprietary data between third parties in the early years of predictive ADME/Tox model development. At that time, industry scientists wanted to evaluate predictive models, but were not willing to share their structures with software vendors. At the same time, model developers were willing to run the scientists' structures through their models, b...

We present here the computational chemistry methods our group uses to investigate the physical and chemical properties of nanoporous materials and adsorbed fluids. We highlight the multiple time and length scales at which these properties can be examined and discuss the computational tools relevant to each scale. Furthermore, we include the key points to considerupsides, downsides, and possibl...

Motivated by the recently improved knowledge on the kinematic and chemical properties of the Galactic metal-poor stars, we present the numerical simulation for the formation of the Galactic stellar halo to interpret the observational results. As a model for the Galaxy contraction, we adopt the currently standard theory of galaxy formation based on the hierarchical assembly of the cold dark matt...

The present study is one step towards sustainable agricultural practices. The results observed for chemical properties like pH, electrical conductivity, available nitrogen, available phosphorus, available potassium, available sulphur, zinc content, organic carbon content and organic matter of vertisol soil indicated that these properties were significantly enchanced at different stages of Soybe...

The dissolution pattern of alpha and beta activity from gypsum sample when leached with 50,100,150ml of rain water,at different time intervals was determined. The dissolution rate increases if the solid to liquid ratio(gypsum to rain water volume) increases.It also increases with time , even though faster in the initial stages, slower in the subsequent stages. The dissolution rates are also inf...

Let G = HoQ be a split extension of nite groups. A theorem of Charlap and Vasquez gives an explicit description of the di erentials d2 in the Lyndon-Hochschild-Serre spectral sequence of the extension with coe cients in a eld k. We generalize this to give an explicit description of all the dr (r 2) in this case. The generalization is obtained by associating to the group extension a new twisting...

Climate change has great significance in Asia in general, and India in particular; and atmospheric aerosols have a decisive role in this. The climate forcing potential of aerosols is closely linked to their optical, microphysical and chemical properties. Systematic efforts to characterize these properties over the Indian region started about 5 decades ago, and evolved over the years through con...

The physico-chemical properties of colloidal nanoparticles (NPs) are influenced by their local environment, as, in turn, the local environment influences the physico-chemical properties of the NPs. In other words, the local environment around NPs has a profound impact on the NPs, and it is different from bulk due to interaction with the NP surface. So far, this important effect has not been add...

1. A considerable advance has been made in the study of the fulvic extract of soil organic matter. A new method has been introduced whereby the fulvic extract is separated by a selective adsorption technique into four distinct fractions. 2. These fractions have been obtained from the fulvic extracts from four widely diverse types of soil. 3. A preliminary examination of the chemical properties ...