منابع مشابه
Fundamental absorption frequencies and mean structures at vibrational ground state from quasi - classical direct ab initio MD : Triatomic molecule
Received 9 September 2007; in final form 20 December 2007 Abstract The fundamental frequencies and the mean values of the internal coordinates are extracted from the trajectories of classical dynamics based on the relation between the classical and the quantum mechanical frequencies using quasi-classical direct ab initio molecular dynamics, where the oscillator amplitude is specified by setting...
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X iv :0 80 9. 00 61 v1 [ qu an tph ] 3 0 A ug 2 00 8 Ultracold Molecules in the Ro-Vibrational Ground State F. Lang,1 K. Winkler,1 C. Strauss,1 R. Grimm,1,2 J. Hecker Denschlag1∗ 1Institut für Experimentalphysik und Zentrum für Quantenphysik, Universität Innsbruck, A-6020 Innsbruck, Austria 2Institut für Quantenoptik und Quanteninformation der Österreichischen Akademie der Wissenschaften, A-602...
متن کاملVibrational spectroscopy of the pyridazine cation in the ground state.
Vibrational structure of the pyridazine cation in the ground state has been revealed by a vacuum-ultraviolet mass-analyzed threshold ionization (VUV-MATI) spectroscopy. The adiabatic ionization energy is precisely measured to be 70241 +/- 6 cm(-1) (8.7088 +/- 0.0007 eV). The origin is very weakly observed, while a long progression of the nu9(+) (a1) band of which the fundamental vibrational fre...
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...
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: 1936
ISSN: 0028-0836,1476-4687
DOI: 10.1038/138036a0