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Effect of reduced graphene oxide hybridization on ZnO nanoparticles sensitivity to NO2 gas: A DFT study

M. A. Abdulsattar ,M. T. Hussein ,M. U. Kahaly

Abstract

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A first-principles investigation into the electronic characteristics of phase changes in ZnO at high pressures

Y. Benkrima a ,M.E. Soudani ,D. Belfennache ,H. Bouguettaia ,A. Souigat a aDepartment of Exact Sciences ,ENS Ouargla ,Algeria.

Abstract

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Tuned physical characteristics of PbSe binary compound: a DFT study

L. Shoukat ,M. K. Butt ,S. Saleem ,Z. M. Elqahtani ,S. A. Aldaghfag ,M. Ishfaq ,M. Yaseen ,E. Yousef ,H. H. Hegazy

Abstract

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Physical characteristics of LaCrxAl1-xO3 : DFT approach

H. Javid ,S. A. Aldaghfag ,M. K. Butt ,S. Mubashir ,M. Yaseen ,M. Ishfaq ,S. Saleem ,H. Elhosiny Ali ,H. H. Hegazy

Abstract

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Theoretical investigation of doped LiMg1-xYxN (Y = Ag, Cu, Mn, Zn) for RRAM application

S. Kiran ,U. Rasheed ,M. Imran ,F. Hussain ,N. A. Niaz ,E. A. Kherad ,R. M. A. Khalil ,A. Nazir

Abstract

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Growth and characterization of DL-Norleucine maleate crystals

A. Z. Bazeera ,D. Muthuraj ,A. S. Mohamed ,S. C. V. Durai ,M. A. Nashrine

Abstract

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The theoretical study and prediction for chemical reactivity of carboxymethyl and succinic acid amylose grafted tanatril drug, a DFT study

M. M. Merza ,S.N.Mohsin

Abstract

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Theoretical exploration of novel alkannin derived D-π-A conjugated organic dyes as efficient sensitizer in dye-sensitized solar cells

X. Mary Josephine ,R. Raj Muhamed ,V. Sathyanarayanamoorthi

Abstract

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Antimicrobial and corrosion inhibition activity of Schiff base in mild steel of HCl and H2SO4 acidic solutions

K. Senthil Murugan ,T. Mohanapriya

Abstract

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Experimental Insights and DFT Study of Green Synthesized CdS Nanoparticles, a Sustainable Approach for Preservation of Capsicum chinense Jacq.

Uday Sankar Senapati ,J. Saikia ,N. Seth ,R. Buragohain

Abstract

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