نتایج جستجو برای: diatomic molecule
تعداد نتایج: 135293 فیلتر نتایج به سال:
Ultrafast vibrational dynamics of small molecules on platinum (Pt) layers in water are investigated using 2D attenuated total reflectance IR spectroscopy. Isotope combinations of carbon monoxide and cyanide are used to elucidate inter-adsorbate and substrate-adsorbate interactions. Despite observed cross-peaks in the CO spectra, we conclude that the molecules are not vibrationally coupled. Rath...
The energies at geometries close to the equilibrium for the eBeO and eLiF ground states were computed by means of diffusion Monte Carlo simulations. These results allow us to predict the equilibrium geometries and the vibrational frequencies for these exotic systems, and to discuss their stability with respect to the various dissociation channels. Since the adiabatic positron affinities were fo...
The zero–temperature conductance of diatomic molecule, modelled as a correlated double quantum dot attached to noninteracting leads is investigated. We utilize the Rejec–Ramšak formulas, relating the linear–response conductance to the ground–state energy dependence on magnetic flux within the framework of EDABI method, which combines exact diagonalization with ab initio calculations. The single...
Dissociation of diatomic molecules with odd number of electrons always causes the unpaired electron to localize on one of the two resulting atomic fragments. In the simplest diatomic molecule H2+ dissociation yields a hydrogen atom and a proton with the sole electron ending up on one of the two nuclei. That is equivalent to breaking of a chemical bond-the most fundamental chemical process. Here...
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