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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. Abstract  PDF
Nazmul Islam, Dulal C. Ghosh
 
Vol 6, No 4 (2015): December 2015 Reactions of the halonium ions of carenes and pinenes: An experimental and theoretical study Abstract  PDF
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
 
Vol 5, No 3 (2014): September 2014 Bactericidal properties of experimental dental composites based on dimethacrylate resins reinforced by nanoparticles Abstract  PDF
Monika Magdalena Lukomska-Szymanska, Joanna Kleczewska, Dariusz Marian Bielinski, Witold Jakubowski, Jerzy Sokolowski
 
Vol 8, No 3 (2017): September 2017 Preparation of novel compounds, characterization and studying experimentally and theoretically as inhibitors through thermodynamic and quantum chemistry Abstract  PDF
Mushtaq Jerri Meften
 
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 Abstract  PDF
Hany Mostafa Mohamed, Ashraf Hassan Fekry Abd El-Wahab, Tarek Maamon El-Gogary
 
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  PDF
Gopal Sharma, Anshul Uppal, Sumati Anthal, Madhukar Baburao Deshmukh, Priyanka Pandharinath Mohire, Tanaji Ramchandra Bhosale, Chellappanpillai Sudarsanakumar, Rajni Kant
 
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 Abstract  PDF
Shimaa Abdel Halim
 
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