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ALBERTO GAMBI CRISTINA PUZZARINI GABRIELE CAZZOLI LUCA DORE PAOLO PALMIERI 《Molecular physics》2013,111(22):3535-3543
A comprehensive anharmonic vibrational analysis of cis-1-chloro-2-fluoroethylene and its isotopomers has been performed on the basis of a complete ab initio quartic force field constructed by means of second-order Møller-Plesset perturbation theory (MP2) and the coupled-cluster singles and doubles approach, augmented for structural optimization and harmonic force field by a contribution of connected triple excitations (CCSD(T)). The theoretical force field was scaled by global least-squares fitting to all spectroscopic data and parameters experimentally determined for this molecule. This final force field, employing standard perturbation theory, yields a complete set of spectroscopic molecular constants providing a critical assessment of experimental rotational and centrifugal distortion constants, fundamentals, overtones, and combination bands determined over many years. Effects of Fermi and Darling-Dennison resonances were included by matrix diagonalization. 相似文献
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A mathematical model is developed for surface waves which propagatefrom a region with a clean free surface into a region beneathan inextensible surface film. Matched asymptotic expansionsare used and the Wiener-Hopf technique is invoked in order todetermine the velocity field in a small boundary-layer regionadjacent to the edge of the film. Within this transition region,where the boundary-layer length and the capillary length arerequired to be comparable, the local form of the free surfaceis determined. 相似文献
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The linearized initial-value problem is considered when an inclinedplane, bounding a viscous stratified fluid, is set in oscillatorymotion along the line of greatest slope. The asymptotic solutionfor the induced flow is examined for large times, and an instability,caused by the background stratification, is found in the basiclinear velocity field. 相似文献
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