Comparison of DFT functionals for prediction of band gap of conjugated polymers and effect of HF exchange term percentage and basis set on the performance von Arı, Hatice, Büyükmumcu, Zeki

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Synthesis and spectroscopic characterization and DFT study of benzyl 4-([1,1’-biphenyl]-4-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate von Yıdırım, Sema Öztürk, Büyükmumcu, Zeki, Butcher, Ray J., Çetin, Gökalp, Şimşek, Rahime

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Structural and spectral analyses of N,N’-(2,2’-dithiodi-o-phenylene)bis-(furan-2-carboxamide) von Yıldırım, Sema Öztürk, Büyükmumcu, Zeki, Pekdur, Özlem Savaş, Butcher, Ray J., Doğan, Şengül Dilem

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Experimental and molecular modeling investigation of isopropyl 4-(biphenyl-4-Yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate von Yıldırım, Sema Öztürk, Çetin, Gökalp, Büyükmumcu, Zeki, Şimşek, Rahime, Şafak, Cihat, Butcher, Ray J., Pekdur, Özlem Savaş

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Poly(3,4-propylenedioxythiophene)s as a Single Platform for Full Color Realization von Dey, Tanmoy, Invernale, Michael A, Ding, Yujie, Buyukmumcu, Zeki, Sotzing, Gregory A

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Theoretical analysis of TcO.sub.3 von Büyükmumcu, Zeki

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Poly(thieno[3,4-b]furan). A New Low Band Gap Conjugated Polymer von Kumar, Arvind, Buyukmumcu, Zeki, Sotzing, Gregory A

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Synthesis, structural characterization and density functional studies of ethyl 4-(biphenyl-4-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate A non-merohedral... von Yıdırım, Sema Öztürk, Büyükmumcu, Zeki, Butcher, Ray J., Çetin, Gökalp, Şimşek, Rahime, Şafak, Cihat

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Theoretical and vibrational spectroscopic approach to keto-enol tautomerism in methyl-2-(4-methoxybenzoyl)-3-(4-methoxyphenyl)-3-oxopropanoylcarbamate von Arı, Hatice, Özpozan, Talat, Büyükmumcu, Zeki, Kabacalı, Yiğit, Saçmaci, Mustafa

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Vibrational and theoretical analysis of pentyl-4-benzoyl-1-[2,4-dinitrophenyl]-5-phenyl-1H-pyrazole-3-carboxylate von Arı, Hatice, Büyükmumcu, Zeki, Özpozan, Talat, İlhan, İlhan Özer, Bahadır, Özlem

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