Publications

Research Group Publications

 
 
  • Krati Joshi, Iksha Singh, Kaliaperumal Selvaraj And Sailaja Krishnamurty, A DFT based assay for tailor-made terpyridine ligand - metal complexation properties, Molecular Simulation., 42, 618 (2015).
  • Kamalika Ghatak, Turbasu Sengupta, Sailaja Krishnamurty And Sourav Pal, Computational investigation on the catalytic activity of Rh6 and Rh4Ru2 clusters towards methanol activation, Theoretical Chemistry Accounts., 134, 1597 (2015).
  • N Sreekanth, Mohammed Azeezulla Nazrulla, TV Vineesh, Sailaja Krishnamurty And KL Phani, Metal-free boron-doped graphene for selective electroreduction of carbon dioxide to formic acid/formate, Chemical Communications., 51, 16061 - 16064 (2015).
  • Krati Joshi And Sailaja Krishnamurty, Behaviour of ‘free-standing’hollow Au nanocages at finite temperatures: a BOMD study, Molecular Physics., 19-20, 2980 - 2991 (2015).
    Special Issue in Honour of Prof. Sourav Pal
  • Subbiah Alwarappan Thazhe Veettil Vineesh, Mohammad Azeezulla Nazrulla, Sailaja Krishnamoorthy And Tharangattu N Narayanan, Synergistic effects of dopants on the spin density of catalytic active centres of N-doped fluorinated graphene for oxygen reduction reaction, Applied Materials Today., 1, 74 - 79 (2015).
 
 


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