Bölüm "Quantum Physics Laboratory, Faculty of Sciences, University of Monastir, Monastir, 5079, Tunisia; Department of Physics, Celal Bayar University, Manisa, Turkey; Department of Mechatronics Engineering, H.F.T. Technology Faculty, Celal Bayar University, Turgutlu, Manisa, Turkey; Institute of Chemistry, University of Silesia, 9 Szkolna Street, Katowice, 40-006, Poland; King Abdulaziz University, Faculty of Science, Saudi Arabia" için listeleme
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Combined experimental and theoretical studies on the molecular structures, spectroscopy, and inhibitor activity of 3-(2-thienyl)acrylic acid through AIM, NBO,FT-IR, FT-Raman, UV and HOMO-LUMO analyses, and molecular docking
(Elsevier B.V., 2017)In this work, the molecular structures and vibrational spectral analyses of 3-(2-Theinyl)acrylic acid (3-2TAA) monomer and dimer structures have been reported by using density functional theory calculations at B3LYP/6-311++G(d,p) ...