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The Calculation of Rotational Energy Levels and Rotational Line Intensities in Diatomic Molecules
Report describing procedures for making quantum mechanical calculations of rotational energy levels and rotational line intensities in diatomic molecules. The procedures are illustrated by sampleExpand
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Recommended conventions for defining transition moments and intensity factors in diatomic molecular spectra
Two recommendations are made that can eliminate persistent confusion in the study of diatomic spectroscopy by providing uniform and consistent definitions of the electronic transition moments and theExpand
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A fitting program for molecules with two equivalent methyl tops and C2v point-group symmetry at equilibrium: Application to existing microwave, millimeter, and sub-millimeter wave measurements of
Author Institution: Institute of Radio Astronomy of NASU, Chervonoproporna 4, 61002 Kharkov, Ukraine. NIST Guest Worker June - August 2009.; Sensor Science Division, National Institute of StandardsExpand
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Classification of Rotational Energy Levels for Symmetric‐Top Molecules
It is shown that the rotational energy levels of a symmetric‐top molecule can be classified according to symmetry species of the full symmetry group of the molecule. Useful selection rules forExpand
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Analysis and fit of the Fourier-transform microwave spectrum of the two-top molecule N-methylacetamide
Abstract The jet-cooled Fourier-transform microwave spectrum of N-methylacetamide (CH3NHC(O)CH3), a molecule containing two methyl tops with relatively low barriers to internal rotation, has beenExpand
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A GROUP-THEORETICAL TREATMENT OF ELECTRONIC, VIBRATIONAL, TORSIONAL, AND ROTATIONAL MOTIONS IN THE DIMETHYLACETYLENE MOLECULE*
The Hamiltonian for the dimethylacetylene molecule is expressed in terms of a set of coordinates which allow a separation of the molecular wave function into an electronic part, a vibrational part, aExpand
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The vibration-rotation problem in triatomic molecules allowing for a large-amplitude bending vibration
Abstract In this paper we derive an expression for the vibration-rotation Hamiltonian of a triatomic molecule. In the derivation we use a curvilinear bending coordinate and two rectilinear stretchingExpand
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ANOMALOUS ROTATIONAL LINE INTENSITIES IN ELECTRONIC TRANSITIONS OF POLYATOMIC MOLECULES: AXIS-SWITCHING
It is convenient when performing calculations on a vibrating and rotating molecule to define an axis system which is somehow fixed to the molecule. The orientation of the usual molecule-fixed axisExpand
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