Form and Vibrational Frequencies of the NO2 Molecule
نویسندگان
چکیده
منابع مشابه
The Correlation between Molecular Graph Properties and Vibrational Frequencies
It seems that the general applicability of the quantum theory of atoms in molecules (QTAIM) oncharacterizing the bonded interactions is still questionable even afier 30 years since its formulation. Fordemonstrating the generality of bonding schemes in QTA IM, ea( isomers were chosen as the modelsystems and the results from molecular charge density analysis and vibrational normal modes werecompa...
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NO2 and HCHO photolysis frequencies from irradiance measurements in Thessaloniki, Greece C. Topaloglou, S. Kazadzis, A. F. Bais, M. Blumthaler, B. Schallhart, and D. Balis Laboratory of Atmospheric Physics, Aristotle University of Thessaloniki, Greece Division for Biomedical Physics, Innsbruck Medical University, Austria Received: 9 February 2005 – Accepted: 8 March 2005 – Published: 15 March 2...
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Adsorption of NO2 molecule on pristine and N-doped TiO2 anatase nanoparticles have been studied using the density functional theory (DFT) technique. The structural properties (such as bond lengths and bond angles) and the electronic properties (such as density of states, band structures and atomic partial charges) have been computed for considered nanoparticles. The result...
متن کاملDensity functional theory study of the adsorption of NO2 molecule on Nitrogen-doped TiO2 anatase nanoparticles
Adsorption of NO2 molecule on pristine and N-doped TiO2 anatase nanoparticles have been studied using the density functional theory (DFT) technique. The structural properties (such as bond lengths and bond angles) and the electronic properties (such as density of states, band structures and atomic partial charges) have been computed for considered nanoparticles. The result...
متن کاملthe correlation between molecular graph properties and vibrational frequencies
it seems that the general applicability of the quantum theory of atoms in molecules (qtaim) oncharacterizing the bonded interactions is still questionable even afier 30 years since its formulation. fordemonstrating the generality of bonding schemes in qta im, ea( isomers were chosen as the modelsystems and the results from molecular charge density analysis and vibrational normal modes werecompa...
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ژورنال
عنوان ژورنال: Nature
سال: 1933
ISSN: 0028-0836,1476-4687
DOI: 10.1038/131621a0