Molecular structure, spectroscopic (FT-IR, FT-Raman, 13C and 1H NMR, UV), polarizability and first-order hyperpolarizability, HOMO and LUMO analysis of 4'-methylbiphenyl-2-carbonitrile.
@article{Karabacak2012MolecularSS, title={Molecular structure, spectroscopic (FT-IR, FT-Raman, 13C and 1H NMR, UV), polarizability and first-order hyperpolarizability, HOMO and LUMO analysis of 4'-methylbiphenyl-2-carbonitrile.}, author={Mehmet Karabacak and Erkan Yilan}, journal={Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy}, year={2012}, volume={87}, pages={ 273-85 } }
25 Citations
FT-IR, FT-Raman and UV spectroscopic investigation, electronic properties, electric moments, and NBO analysis of anethole using quantum chemical calculations.
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Spectroscopic (FT-IR, Laser-Raman and NMR) and conformational analysis on novel pyrazole β-keto ester compound
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Synthesis, molecular structure, spectral investigation on (E)-1-(4-bromophenyl)-3-(4-(dimethylamino)phenyl)prop-2-en-1-one
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Synthesis, X-ray crystal structure, vibrational spectroscopy, DFT calculations, electronic properties and Hirshfeld analysis of (E) -4-Bromo- N '-(2,4-dihydroxy-benzylidene) benzohydrazide
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Spectroscopic, Quantum Chemical, Physical and Antioxidant Studies on 2-Amino 4-Picolinium 4-Nitrobenzoate – An Organic Crystal for Nonlinear Optical and Biological Applications
- Chemistry
- 2016
Abstract The title compound, 2-amino 4-picolinium 4-nitrobenzoate (2A4PNB), has been identified as a nonlinear optical material and its good quality single crystals were grown from methanol solution.…
Spectroscopic, quantum-chemical and X-ray diffraction studies of Piperidinium p-Hydroxybenzoate-combined experimental and theoretical studies on a novel NLO crystal.
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