AIM and ELF bonding analyses of M-O and M-N (Metal= Ba, Y, Zr) in metal-complexes using DFT approach / Nor Ain Fathihah Abdullah, Sharizal Hasan and Lee Sin Ang

• প্রধান লেখক: Abdullah, Nor Ain Fathihah (লেখক), Hasan, Sharizal (লেখক), Lee, Sin Ang (লেখক)
• বিন্যাস: গ্রন্থ
• প্রকাশিত: Faculty of Applied Sciences, 2021.
• বিষয়গুলি: Article; PeerReviewed
• অনলাইন ব্যবহার করুন: Link Metadata

The molecular interaction between the chelating agents of citric acid (CA), ethylenediaminetetraacetic acid (EDTA), and triethylenetetraamine (TETA) with metals (M = Ba, Y, and Zr) were studied using Density Functional Theory (DFT) method. This study aims to determine the type of bonding between M-O...