Browsing by Author "Duley, Soma"

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    Some novel molecular frameworks involving representative elements
    (2012) Chakraborty, Arindam; Bandaru, Sateesh; Das, Ranjita; Duley, Soma; Giri, Santanab; Goswami, Koushik; Mondal, Sukanta; Pan, Sudip; Sen, Soumya; Chattaraj, Pratim K.
    Several new molecular frameworks with interesting structures, based on clusters of main group elements have been studied at different levels of theory with various basis sets. Conceptual density functional theory based reactivity descriptors and nucleus independent chemical shift provide important insights into their bonding, reactivity, stability and aromaticity.