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Synthesis, analysis of spectroscopic and nonlinear optical properties of the novel compound: (S)-N-benzyl-1-phenyl-5-(thiophen-3-yl)-4-pentyn-2-amine

https://doi.org/10.1016/j.saa.2012.05.087

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inferredcites →https://doi.org/10.1002/1521-3765(20021115)8:22<5072::aid-chem5072>3.0.co;2-mopenalex-snapshot

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inferredcites →https://doi.org/10.1002/9780470187265.ch3openalex-snapshot

Biologically Active Thiophene Derivatives Revisited: 1983–1988

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Organic Materials for Third‐Order Nonlinear Optics

inferredcites →https://doi.org/10.1002/jcc.20823openalex-snapshot

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inferredcites →https://doi.org/10.1016/0022-4596(89)90094-7openalex-snapshot

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inferredcites →https://doi.org/10.1016/0371-1951(57)80149-0openalex-snapshot

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inferredcites →https://doi.org/10.1016/0371-1951(65)80026-1openalex-snapshot

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Complete vapor phase assignment for the fundamental vibrations of furan, pyrrole and thiophene

inferredcites →https://doi.org/10.1016/0924-2031(92)87021-7openalex-snapshot

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inferredcites →https://doi.org/10.1016/b978-0-12-411544-6.00028-5openalex-snapshot

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Experimental and Theoretical Studies of the Vibrational and Electronic Properties of (2E)-2-[3-(1H-imidazol-1-yl)-1-phenyl-propylidene]-N-phenylhydrazinecarboxamide: An Anticonvulsant Agent

inferred← citeshttps://doi.org/10.5772/intechopen.83234openalex-snapshot

Synthesis and Nonlinear Optical Studies on Organic Compounds in Laser-Deposited Films

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