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Vol 1, No 2 (2010): June 2010 |
Evaluation of global hardness of atoms based on the commonality in the basic philosophy of the origin and the operational significance of the electronegativity and the hardness. Part I. The Gordy’s scale of electronegativity and the G.H. |
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Nazmul Islam, Dulal C. Ghosh |
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Vol 6, No 4 (2015): December 2015 |
Reactions of the halonium ions of carenes and pinenes: An experimental and theoretical study |
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Lee Jonathan Silverberg, Kurt Andrew Kistler, Kyle Brobst, Hemant Prabhakar Yennawar, Anthony Lagalante, Gang He, Khalid Ali, Ashbyilyin Blatt, Shalay Foster, Dennis Grossman, Stefan Hegel, Michael Minehan, Dana Valinsky, James Gabriel Yeasted |
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Vol 5, No 3 (2014): September 2014 |
Bactericidal properties of experimental dental composites based on dimethacrylate resins reinforced by nanoparticles |
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Monika Magdalena Lukomska-Szymanska, Joanna Kleczewska, Dariusz Marian Bielinski, Witold Jakubowski, Jerzy Sokolowski |
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Vol 8, No 3 (2017): September 2017 |
Preparation of novel compounds, characterization and studying experimentally and theoretically as inhibitors through thermodynamic and quantum chemistry |
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Mushtaq Jerri Meften |
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Vol 8, No 4 (2017): December 2017 |
Heteroaromatization with 4-phenyldiazenyl-1-naphthol. Part III: One-pot synthesis and DFT study of 4H-naphthopyran derivatives |
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Hany Mostafa Mohamed, Ashraf Hassan Fekry Abd El-Wahab, Tarek Maamon El-Gogary |
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Vol 11, No 4 (2020): December 2020 |
Synthesis, X-ray structure, and DFT analysis of a binary complex of 3,3'-[(3-benzimidazolyl)methylene]bis(4-hydroxy-2H-1-benzopyran-2-one): 5-Methyl-1,3-thiazol-2(3H)-imine |
Abstract
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Gopal Sharma, Anshul Uppal, Sumati Anthal, Madhukar Baburao Deshmukh, Priyanka Pandharinath Mohire, Tanaji Ramchandra Bhosale, Chellappanpillai Sudarsanakumar, Rajni Kant |
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Vol 9, No 4 (2018): December 2018 |
TD-DFT calculations, electronic structure, natural bond orbital analysis, nonlinear optical properties electronic absorption spectra and antimicrobial activity application of new bis-spiropipridinon/pyrazole derivatives |
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Shimaa Abdel Halim |
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