未登录 A combined experimental and theoretical DFT (B3LYP, CAM-B3LYP and M06-2X) study on electronic structure, hydrogen bonding, solvent effects and spectral features of methyl 1H-indol-5-carboxylate Srivastava, Ruchi; Al-Omary, Fatmah A. M.; El-Emam, Ali A.; Pathak, Shilendra K.; Karabacak, M.; Narayan, Vijay; Chand, Satish; Prasad, Onkar; Sinha, Leena 分享 收藏
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 Issaoui, N.; Ghalla, H.; Bardak, F.; Karabacak, M.; Dlala, N. Aouled; Flakus, H. T.; Oujia, B. 分享 收藏
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Conformational, electronic, and spectroscopic characterization of isophthalic acid (monomer and dimer structures) experimentally and by DFT Bardak, F.; Karaca, C.; Bilgili, S.; Atac, A.; Mavis, T.; Asiri, A. M.; Karabacak, M.; Kose, E. 分享 收藏
Synthesis, single crystal structure, spectroscopic characterization and molecular properties of (2E)-3-(2,6-dichlorophenyl)-1-(3,4-dimethoxyphenyl)prop-2-en-1-one Kumar, C. S. Chidan; Quah, Ching Kheng; Balachandran, V.; Fun, Hoong-Kun; Asiri, A. M.; Chandraju, Siddegowda; Karabacak, Mehmet 分享 收藏
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Synthesis, molecular structure, spectral investigation on (E)-1-(4-bromophenyl)-3-(4-(dimethylamino)phenyl)prop-2-en-1-one Asiri, A. M.; Karabacak, M.; Sakthivel, S.; Al-Youbi, A. O.; Muthu, S.; Hamed, S. A.; Renuga, S.; Alagesan, T. 分享 收藏
Synthesis and spectroscopic characterization on 4-(2,5-di-2-thienyl-1H-pyrrol-1-yl) benzoic acid: A DFT approach Kurt, M.; Sas, E. Babur; Can, M.; Okur, S.; Icli, S.; Demic, S.; Karabacak, M.; Jayavarthanan, T.; Sundaraganesan, N. 分享 收藏
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