Assessment of inhibition performance of expired chloroquine phosphate on 304 L stainless steel corrosion in hydrochloric acid solution: An experimental and computational study by Muhammad Abubakar Lawal, Abdulrahman Musa, Zahradeen Muhammad, Kabiru Haruna, Tawfik A. Saleh

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Tuning the photovoltaic potential of thiazole based materials via incorporation of selenophene and electron acceptors rings at peripheral positions: A DFT approach by Muhammad Khalid, Sadia Jamal, Ataualpa Albert Carmo Braga, Muhammad Haroon, Rajeh Alotaibi, Ke Chen

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Regarding certain stages of the development of quantum chemistry in Russia: Experience from the Ya.K. Syrkin Department of Physical Chemistry of the M.V. Lomonosov Institute of Fin... by K. V. Bozhenko

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Do we know the chemical bond? A case for the ethical teaching of undefined paradigms by Kozuch Sebastian

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Computational insights into the electronic, chemical, and thermodynamic properties of borazine and its derivatives by S. Haque, M.A. Rahman, M.A.M. Islam, A. Hossain

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Chemoinformatics analysis of Mangifera indica leaves extracted phytochemicals as potential EGFR kinase modulators by Md. Abdullah Al Mashud, Md. Abdullah Al Mashud, Ajoy Kumer, Ajoy Kumer, Ismat Jahan, Md. Mehedi Hasan Somrat, Md. Mehedi Hasan Somrat, Md. Enamul Kabir Talukder, Md. Mashiar Rahman, A. F. M. Shahab Uddin, Md. Harun-Or-Rashid, Md. Harun-Or-Rashid, Md. Mizanur Rahman, Mohammad Harun-Ur-Rashid, Gamal A. Shazly, Youssouf Ali Younous

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Application N-aminophthalimide for effective and efficient synthesis of new 1,4- dihydropyridine derivatives and electronic properties analyses, vibrational frequencies, NMR chemic... by Vahid Mohammadi, Nahid Shajari, Hooriye Yahyaei

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Structural and Electronic Properties of Thiophene-Based Supramolecular Architectures: Influence of the Underlying Metal Surfaces by Lixia Kang, Yao Tian, Hui Lu, Shunze Xia, Xianfei Xu, Zechao Yang

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Effect of π Orbital on I/V Characteristics and Transmission in Molecular Diode Structures with Au Contacts by A. Mallaiah, G.N. Swamy, K. Padmapriya

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Investigation of a Nanophotonic Sensor with Electrode Modified by Semiconductor Quantum Dots by O.A. Sushko, M.M. Rozhitskii

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Determine the Relative Aromaticity of Bilayer Graphyne, Bilayer Graphdiyne, and Bilayer Graphtriyne by Gang Zhang, Xinwen Gai, Lulu Sun, Ji Ma

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DFT study on the polymerization mechanism of aleuritic acid and jalaric acid in shellac molecule by Saurav Kumar, Anupma Sharma, Lubhan Cherwoo, Nandkishore Thombare, Amol P. Bhondekar

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Molecular engineering with benzothiophene based bracing units to improve the photovoltaic properties of the naphthalene core based chromophores by Muhammad Adnan Asghar, Iqra Shafiq, Sadia Jamal, Khalid Abdullah Alrashidi, Ke Chen

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Identification of Novel Compounds That Bind to the HGF β-Chain In Silico, Verification by Molecular Mechanics and Quantum Mechanics, and Validation of Their HGF Inhibitory Activity... by Ko Suzuki, Keitaro Inoue, Ryota Namiguchi, Seiya Morita, Suzuho Hayakawa, Mikuri Yokota, Katsuya Sakai, Kunio Matsumoto, Shunsuke Aoki

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Potential and prospects in molecular orbital level micro-electric field for low energy consumption water purification by Lyu Lai, Wang Yumeng, Lu Chao, Li Fan, Cao Wenrui, Sun Yingtao, Hu Chun

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DFT and molecular docking analyses of the effects of solvent polarity and temperature on the structural, electronic, and thermodynamic properties of p-coumaric acid: Insights for a... by Umer Sherefedin, Abebe Belay, Kusse Gudishe, Alemu Kebede, Alemayehu Getahun Kumela, Tadesse Lemma Wakjira, Dereje Gelanu, Tesfaye Feyise, Jebel Haji Mahamud, Abdulkerim Abdela, Kebede Shankute Gizew

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7-hydroxy-3-(1-hydroxyethyl)-5-methoxy-3-4-dimethylisobenzofuran-a(3H)-one and 4, 8-dihydroxy-6-methoxy-3,4,5-trimethyIisochroman-1-one using MOPAC Software by Wilanfranco Tayone

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The Electronic Structure and Bonding in Some Small Molecules by George B. Bacskay

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Integrating network pharmacology and molecular modeling to decipher the anti-esophageal squamous cell carcinoma mechanisms of Bidens pilosa L by Zhenzhen Yang, Cheng Chang, Na Gao, Pan Gao, Yinsen Song, Ruiting Feng, Jingjie Meng, Chen Wang, Haozhe Zhang, Tianli Fan

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