Isomer distribution in α-Keggin structures [XW12−V O40]−(+) X = Si, P (0 ≤ n ≤ 4): A DFT study of free energy and vibrational spectra
نویسندگان
چکیده
منابع مشابه
Vibrational spectra and structures of neutral Si₆X clusters (X = Be, B, C, N, O).
Neutral silicon clusters doped with first row elements (Si6X) have been generated (X = B, C, N, O) and characterized by infrared-ultraviolet (IR-UV) two-photon resonance-enhanced ionization spectroscopy (X = C, O) and quantum chemical calculations (X = Be, B, C, N, O, Si). In the near threshold UV photoionization, the ion signal of specific cluster sizes can be significantly enhanced by resonan...
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15 صفحه اولVibrational spectra and structures of bare and Xe-tagged cationic Si(n)O(m)⁺ clusters.
Vibrational spectra of Xe-tagged cationic silicon oxide clusters Si(n)O(m)(+) with n = 3-5 and m = n, n ± 1 in the gas phase are obtained by resonant infrared multiple photon dissociation (IRMPD) spectroscopy and density functional theory calculations. The Si(n)O(m)(+) clusters are produced in a laser vaporization ion source and Xe complexes are formed after thermalization to 100 K. The cluster...
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In recent years there has been considerable interest in the structures, energies and thermodynamics of(GaN)4 clusters and it is the subject of many experimental and theoretical studies because of theirfundamental importance in chemical and physical process. All calculation of this study is carried outby Gaussian 98. Geometry optimization for (GaN)4 nanocluster are be fulfilled at B3LYP, B1LYPan...
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writing an academic article requires the researchers to provide support for their works by learning how to cite the works of others. various studies regarding the analysis of citation in m.a theses have been done, while little work has been done on comparison of citations among elt scopus journal articles, and so the dearth of research in this area demands for further investigation into citatio...
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ژورنال
عنوان ژورنال: Comptes Rendus Chimie
سال: 2016
ISSN: 1631-0748
DOI: 10.1016/j.crci.2016.05.021