Exploration of chromone-based thiosemicarbazone derivatives SC-XRD/DFT, spectral (IR, UV–Vis) characterization, and quantum chemical analysis
Rabia Basri Muhammad Khalid; Zahid Shafiq; Muhammad Suleman Tahir; Muhammad Usman Khan; MuhammadNawaz Tahir; Muhammad Moazzam Naseer; Ataualpa Albert Carmo Braga
ACS Omega Washington v. 5, n. 46, p. 30176–30188, 2020
Washington 2020
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Synthesis, crystal structure analysis, spectral characterization and nonlinear optical exploration of potent thiosemicarbazones based compounds a DFT refine experimental study
Rifat Jawaria Mazhar Hussain; Muhammad Khalid; Muhammad Usman Khan; MuhammadNawaz Tahir; Muhammad Moazzam Naseer; Ataualpa Albert Carmo Braga; Zahid Shafiq
Inorganica Chimica Acta Lausanne v. 486, p. 162-171, 2019
Lausanne 2019
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Synthesis, XRD, spectral (IR, UV-Vis, NMR) characterization and quantum chemical exploration of benzoimidazole-based hydrazones a synergistic experimental-computational analysis
Muhammad Rafiq Muhammad Khalid; MuhammadNawaz Tahir; Muhammad Umair Ahmad; Muhammad Usman Khan; Muhammad Moazzam Naseer; Ataualpa Albert Carmo Braga; Shabbir Muhammad; Zahid Shafiq
Applied Organometallic Chemistry Hoboken v. 33, p. 1-17 art. e5182, 2019
Hoboken 2019
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A comprehensive study of structural, non-covalent interactions and electronic insights into N-aryl substituted thiosemicarbazones via SC-XRD and first-principles DFT approach
Anam Rubbab Pasha Muhammad Khalid; Zahid Shafiq; Muhammad Usman Khan; Muhammad Moazzam Naseer; MuhammadNawaz Tahir; Riaz Hussain; Ataualpa Albert Carmo Braga; Rifat Jawaria
Journal of Molecular Structure Amsterdam v. 1230, p. 1-11 art. 129852, 2021
Amsterdam 2021
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