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Insight into the nature of the ionic interactions between some aldehydes and Ni-W alloy: A theoretical study

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Al-Azhar University – Gaza
Kumar U.P.; Albrakaty R.H.; Wazzan N.; Obot I.B.; Safi Z.S.; Shanmugan S.; Liang T.
Kumar, U. Pramod (56884646300); Albrakaty, Roqaya H. (57201474084); Wazzan, Nuha (36155094500); Obot, I.B. (15027292200); Safi, Zaki S. (16199979600); Shanmugan, S. (24468906700); Liang, Tongxiang (7202019103)
56884646300; 57201474084; 36155094500; 15027292200; 16199979600; 24468906700; 7202019103
2020
Materials Today Communications
Insight into the nature of the ionic interactions between some aldehydes and Ni-W alloy: A theoretical study
22
Elsevier Ltd
100693
School of Materials Science and Engineering, Jiangxi University of Science and Technology, 156 Hakka Road, Ganzhou, 341000, China; Department of Chemistry, SRM Institute of Science and Technology, Kattankulathur Campus, Chennai, 603203, Tamil Nadu, India; King Abdulaziz University, Chemistry Department, Faculty of Science, P.O Box 42805, Jeddah, 21589, Saudi Arabia; Center of Research Excellence in Corrosion, Research Institute, King Fahd University of Petroleum and Minerals, Dhahran, 31261, Saudi Arabia; Department of Chemistry, Faculty of Science, Al Azhar University-Gaza, P. O. Box 1277, Gaza City, Palestine
Kumar U.P., School of Materials Science and Engineering, Jiangxi University of Science and Technology, 156 Hakka Road, Ganzhou, 341000, China, Department of Chemistry, SRM Institute of Science and Technology, Kattankulathur Campus, Chennai, 603203, Tamil Nadu, India; Albrakaty R.H., King Abdulaziz University, Chemistry Department, Faculty of Science, P.O Box 42805, Jeddah, 21589, Saudi Arabia; Wazzan N., King Abdulaziz University, Chemistry Department, Faculty of Science, P.O Box 42805, Jeddah, 21589, Saudi Arabia; Obot I.B., Center of Research Excellence in Corrosion, Research Institute, King Fahd University of Petroleum and Minerals, Dhahran, 31261, Saudi Arabia; Safi Z.S., Department of Chemistry, Faculty of Science, Al Azhar University-Gaza, P. O. Box 1277, Gaza City, Palestine; Shanmugan S., Department of Chemistry, SRM Institute of Science and Technology, Kattankulathur Campus, Chennai, 603203, Tamil Nadu, India; Liang T., School of Materials Science and Engineering, Jiangxi University of Science and Technology, 156 Hakka Road, Ganzhou, 341000, China
U.P. Kumar; School of Materials Science and Engineering, Jiangxi University of Science and Technology, Ganzhou, 156 Hakka Road, 341000, China; email: pramod7147@gmail.com
24
10.1016/j.mtcomm.2019.100693
Additives; B3LYP; DFT; HF; Monte Carlo Simulation; Ni-W alloy
Additives; Binary alloys; Corrosion; Corrosion inhibitors; Design for testability; Hafnium; Intelligent systems; Machine design; Machinery; Molecules; Monte Carlo methods; Quantum chemistry; Tungsten alloys; Adsorption mechanism; B3LYP; Manufacturing industries; Molecular-level insights; Ni-W alloy; Quantum chemical calculations; Reactivity parameters; Theoretical framework; Nickel alloys