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A vibrational study of 3,3,6,6-tetramethyl-1,2,4,5-tetroxane: The spectra of the deuterated substance and the scaled quantum mechanics force field
Abstract The vibrational properties of 3,3,6,6-tetramethyl-1,2,4,5-tetroxane (diacetone diperoxide) were calculated theoretically using DFT procedures. The obtained results and the experimentalExpand
Theoretical study of a recently synthesized azo dyes useful for OLEDs
Abstract The development of new materials with higher nonlinear optical (NLO) activity is an important goal in photonics and optoelectronics. In this context, a theoretical and systematicExpand
Solvent effects on low-lying absorptions and vibrational spectra of thieno[3,4-b]pyrazines: the role of unconventional C–H···N bonds
Difunctionalized thieno[3,4-b]pyrazines are a class of fused-ring systems used as precursors for copolymers and since these molecules were first synthesized, there is a long discussion about theirExpand