Structural, electronic, elastic and thermodynamic properties of Li2ZrO3: A comprehensive study using DFT formalism von Chattaraj, D.

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CO2 hydrogenation to formic acid on Pd–Cu nanoclusters: a DFT study von Chattaraj, D, Majumder, C

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Adsorption and dehydrogenation of ammonia on Ru 55 , Cu 55 and Ru@Cu 54 nanoclusters: role of single atom alloy catalyst von Chattaraj, D, Majumder, C

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Adsorption and dehydrogenation of ammonia on Ru55, Cu55 and Ru@Cu54 nanoclusters: role of single atom alloy catalyst von Chattaraj, D, Majumder, C

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CO 2 hydrogenation to formic acid on Pd-Cu nanoclusters: a DFT study von Chattaraj, D, Majumder, C

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Adsorption, dissociation and diffusion of hydrogen on the ZrCo surface and subsurface: A comprehensive study using first principles approach von Chattaraj, D., Kumar, Nandha, Ghosh, Prasenjit, Majumder, C., Dash, Smruti

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Structural, electronic, elastic and thermodynamic properties of Zr2Fe and Zr2FeH5: A comprehensive study using first principles approach von Chattaraj, D., Majumder, C., Dash, Smruti

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Atomic, electronic, and magnetic properties of bimetallic ZrCo clusters: A first-principles study von Chattaraj, D., Bhattacharya, Saswata, Dash, Smruti, Majumder, C.

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Adsorption and dehydrogenation of ammonia on Ru, Cu and Ru@Cu nanoclusters: role of single atom alloy catalyst von Chattaraj, D, Majumder, C

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Structural, electronic and thermodynamic properties of ZrCo and ZrCoH3: A first-principles study von Chattaraj, D., Parida, S.C., Dash, Smruti, Majumder, C.

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First principles study of the ZrX2 (X = H, D and T) compounds von Chattaraj, D., Parida, S.C., Dash, Smruti, Majumder, C.

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Structural, electronic, elastic, vibrational and thermodynamic properties of U3Si2: A comprehensive study using DFT von Chattaraj, D., Majumder, C.

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CO hydrogenation to formic acid on Pd-Cu nanoclusters: a DFT study von Chattaraj, D, Majumder, C

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Structural, electronic, elastic and thermodynamic properties of Li 2 ZrO 3 : A comprehensive study using DFT formalism von Chattaraj, D.

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Structural and electronic properties of U2Ti: A first principles study von Chattaraj, D., Parida, S.C., Majumder, C.

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Structural, electronic, elastic, vibrational and thermodynamic properties of U^sub 3^Si^sub 2^: A comprehensive study using DFT von Chattaraj, D, Majumder, C

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Standard molar enthalpy of formation of FeGe(s) and FeGe2(s) intermetallic compounds von Phapale, S., Mishra, R., Chattaraj, D., Samui, P., Sengupta, P., Mishra, P.K.

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High temperature enthalpy increment and thermodynamic functions of U2Ti von Chattaraj, D., Jat, Ram Avtar, Parida, S. C., Agarwal, Renu, Dash, Smruti

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Magnetic properties of FeZr2 and Fe2Zr intermetallic compounds von Prajapat, C. L., Chattaraj, D., Mishra, R., Singh, M. R., Mishra, P. K., Ravikumar, G.

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Structural, electronic, elastic, vibrational and thermodynamic properties of ZrNi and ZrNiH3: A comprehensive study through first principles approach von Chattaraj, D., Dash, Smruti, Majumder, C.

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