Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely: Abstract#R##N##R##N#This article presents the results of experimental and theoretical studies of the vOH and vOD band shapes in the polarized infrared spectra of 3-thiophenic acid crystals measured at room temperature and at 77 K. The line shapes are studied theoretically within the framework of the anharmonic coupling theory, Davydov coupling, Fermi resonance, direct and indirect damping, as ll as the selection rule breaking mechanism for forbidden transitions. The adiabatic approximation allowing to separate the high-frequency motion from the slow one of the H-bond bridge is performed for each separate H-bond bridge of the dimer and a strong nonadiabatic correction is introduced via the resonant exchange beten the fast-mode excited states of the two moieties. The spectral density is obtained within the linear response theory by Fourier transform of the damped autocorrelation functions. The approach correctly fits the experimental line shape of the hydrogenated compound and predicts satisfactorily the evolution in the line shapes with temperature and the change in the line shape with isotopic substitution. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010
['Rekik Najeh', 'Ghalla Houcine', 'Henryk T. Flakus', 'Magdalena Jabłońska', 'Oujia Brahim']
I am writing a research paper on a idea Experimental and theoretical study of the polarized infrared spectra of the hydrogen bond in 3-thiophenic acid crystal
[{"from": "human", "value": "I am writing a research paper on a idea Experimental and theoretical study of the polarized infrared spectra of the hydrogen bond in 3-thiophenic acid crystal"}, {"from": "gpt", "value": "Thats a unique idea.You should consider the following idea to enhance your idea so that it would impact uniquely: Abstract#R##N##R##N#This article presents the results of experimental and theoretical studies of the vOH and vOD band shapes in the polarized infrared spectra of 3-thiophenic acid crystals measured at room temperature and at 77 K. The line shapes are studied theoretically within the framework of the anharmonic coupling theory, Davydov coupling, Fermi resonance, direct and indirect damping, as ll as the selection rule breaking mechanism for forbidden transitions. The adiabatic approximation allowing to separate the high-frequency motion from the slow one of the H-bond bridge is performed for each separate H-bond bridge of the dimer and a strong nonadiabatic correction is introduced via the resonant exchange beten the fast-mode excited states of the two moieties. The spectral density is obtained within the linear response theory by Fourier transform of the damped autocorrelation functions. The approach correctly fits the experimental line shape of the hydrogenated compound and predicts satisfactorily the evolution in the line shapes with temperature and the change in the line shape with isotopic substitution. \u00a9 2009 Wiley Periodicals, Inc. J Comput Chem, 2010"}]