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Pyridine-M2+ [M = Mg,Ca]: A promising organometallic system for potential hydrogen storage: In silico study
Affiliation:1. School of Applied Science and Humanities, Haldia Institute of Technology, Haldia, 721657, India;2. Departments of Chemistry, Cooch Behar Panchanan Barma University, Cooch Behar, 736101, India;3. Center for Basic Sciences, Pt. Ravishankar Shukla University, Raipur, 492010, (C.G), India;4. Mechanical and Construction Engineering, Faculty of Engineering and Environment, Northumbria University, Newcastle Upon Tyne, NE1 8ST, UK;5. College of Materials Science and Engineering, Taiyuan University of Science and Technology, Taiyuan, 030024, China;1. Molecular Modelling and Spectroscopy Research Team, Faculty of Science, Chouaïb Doukkali University, P.O. Box 20, 24000, El Jadida, Morocco;2. Laboratory of Bioorganic Chemistry, Department of Chemistry, Faculty of Sciences, Chouaïb Doukkali University, P.O. Box 20, 24000, El Jadida, Morocco;3. Laboratory of Natural Substances Chemistry, Faculty of Sciences Semlalia, Cadi Ayyad University, P.O. Box 2390, 40000, Marrakech, Morocco;4. Department of Chemistry, Physical Chemistry Laboratory Applied Materials, Faculty of Sciences-Ben M''sik, Hassan II University, Casablanca, Morocco;1. Department of Chemistry, GLA University, Mathura, 281406, India;2. Department of Chemistry, Kalindi College, University of Delhi, Delhi, 110008, India;3. Department of Chemistry, Shyamlal College, University of Delhi, Delhi, 110032, India;4. Department of Chemistry, Faculty of Science, Agriculture and Engineering, University of Zululand, P/Bag X1001, KwaDlangezwa, 3886, South Africa;1. Chemistry Division, Department of Basic Sciences & Humanities, GMR Institute of Technology (Affilated to JNTU-GV), Rajam, Andhra Pradesh, 532127, India;2. School of Chemistry & Physics, University of KwaZulu-Natal, Durban, 4000, South Africa;1. Department of Chemistry, Vel Tech High Tech Dr.Rangarajan Dr.Sakunthala Engineering College, Chennai, 600 062, Tamilnadu, India;2. Department of Chemistry, Vel Tech Rangarajan Dr. Sagunthala R&D Institute of Science and Technology, Avadi, 600 062, Chennai, Tamilnadu, India;3. Department of Physics, Vinayaka Mission''s Kirupananda Variyar Engineering College, Salem, 636308, Tamilnadu, India;4. Department of Chemistry, R.M.D.Engineering College, Chennai, 601206, Tamilnadu, India;5. Department of Chemistry, University College of Engineering, Panruti, 607106, Tamilnadu, India;2. Guangdong Key Laboratory for Hydrogen Energy Technologies, Foshan University, Foshan, 528000, PR China;3. Huizhou LCY Elastomers Corp., Huizhou, 516082, Guangdong Province, PR China;1. School of Applied Science and Humanities, Haldia Institute of Technology, Haldia 721657, India;2. Maulana Abul Kalam Azad University of Technology, Haringhata 741249, India
Abstract:
Keywords:Binding energy  Average adsorption energy  Topological analysis  Gravimetric wt %
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