Quantum-size effects in semiconductor heterosystems by L.A. Matveeva, E.F. Venger, E.Yu. Kolyadina, P.L. Neluba

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Computational Characterization of Bidentate P-Donor Ligands: Direct Comparison to Tolman’s Electronic Parameters by Tímea R. Kégl, Noémi Pálinkás, László Kollár, Tamás Kégl

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Effect of hydrostatic pressure on structural and electronic properties of TGS crystals (first-principle calculations) by B.Andriyevsky, W.Ciepluch-Trojanek, A.Patryn

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Improvement the efficacy of Al/CuPc/n-Si/Al Schottky diode based on strong light absorption and high photocarriers response by Elsayed Elgazzar

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Synthesis of 2D yttrium zinc oxide nanosheets via simple chemical route toward high performance Schottky diode based on large charge carriers density and photoresponsivity by Miad Ali Siddiq

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DFT Analysis of the Electronic and Structural Properties of Lanthanide Nitride Cluster Fullerenes Ln₃N@C₈₀ by César Martínez-Flores, Vladimir A. Basiuk

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Quantitative Structure-Activity Relationship Analysis of Organophosphate Insecticides Using Electronic and Molecular Parameters by Yari Mukti Wibowo, Mudasir Mudasir, Harno Dwi Pranowo

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Synthesis of Alq3 by a facile co-precipitation approach and study the impact of CNTs support on its microstructure and electronic characteristics for photodiode development by Miad Ali Siddiq

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Data of electronic, reactivity, optoelectronic, linear and non-linear optical parameters of doping graphene oxide nanosheet with aluminum atom by Crevain Souop Tala Foadin, Fridolin Tchangnwa Nya, Alhadji Malloum, Jeanet Conradie

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Theoretical study of the tautomerization of Carmustine in a biological media as an anti-cancer drug by Mahnoush Momeni Landi, Sayed Ali Ahmadi, Mohammad Reza Akhgar, Dadkhoda Ghazanfari

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The computational study of the tautomerization of Dacarbazine in a biological system: The DFT approach by Yasaman Najibzade, Enayatollah Sheikhhosseini, Mohammad Reza Akhgar, Sayed Ali Ahmadi

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Backbone tuning in indenylidene–ruthenium complexes bearing an unsaturated N-heterocyclic carbene by César A. Urbina-Blanco, Xavier Bantreil, Hervé Clavier, Alexandra M. Z. Slawin, Steven P. Nolan

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