Malathi Kalyanikar

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The binding energy distribution analysis method (BEDAM) protocol has been employed as part of the SAMPL4 blind challenge to predict the binding free energies of a set of octa-acid host-guest complexes. The resulting predictions were consistently judged as some of the most accurate predictions in this category of the SAMPL4 challenge in terms of quantitative(More)
Heterogeneous Re/SiO(2) catalysts prepared using a one pot sol-gel synthesis were found to display high activity in the direct, selective methanol conversion to methylal, which is correlated to an unprecedented rhenium oxide structure.
A variety of strategies for the synthesis of solution processable graphene sheets has been developed so far. However, no approach has been reported to directly produce highly conductive, low-oxygen-containing graphene sheets without relying on toxic reagents and metal containing compounds and without generating toxic by-products. With an aim of developing(More)
Measuring and understanding electric fields in multilayered materials at the nanoscale remains a challenging problem impeding the development of novel devices. At this scale, it is far from obvious that materials can be accurately described by their intrinsic bulk properties, and considerations of the interfaces between layered materials become unavoidable(More)
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