Results 261 to 270 of about 3,951,961 (299)

The carbon dioxide molecule: A new derivation of the potential, spectroscopic, and molecular constants

Journal of Molecular Spectroscopy, 1984
A new determination of the potential energy function of the carbon dioxide molecule from its vibrorotational spectrum is presented. Starting from the previous determination made by A. Chedin [J. Mol. Spectrosc. 76, 430–491 (1979)] and from a significantly larger set of updated experimental data, the new potential is shown to provide a better agreement ...
Alain Chedin, Jean-Luc Teffo
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Microwave spectroscopic study on the molecular structure and the quadrupole coupling constants of thionyl chloride

Journal of Molecular Structure, 1981
Abstract Microwave spectra of thionyl chloride, SO35Cl2 and SO35Cl37Cl, in the frequency range 8–25 GHz have been analyzed. The rotational constants have been obtained from the low J transition frequencies. The rS coordinates of Cl atoms and the ro structure have been evaluated with some assumptions: r(S-O) = 1.435 ± 0.011± A, r(S—Cl) = 2.072 0.005 A,
Sigenari Suzuki, Masabumi Yamaguchi, Masao Onda, Takesffi Sakaizumi, Osamu Ohashi, Ichiro Yamaguchi   +5 more
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II—Molecular Constants From Spectroscopic Data

Journal of Fluids Engineering, 1948
Abstract A brief discussion is given of how from the study of molecular spectra those molecular constants can be obtained that are of importance for the calculation of thermodynamic functions of gases in the ideal gaseous state. Subsequently, the existing data are reviewed for the specific gases at present under consideration by the ASME
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Molecular Addition Compounds of Iodine. I. An Absolute Method for the Spectroscopic Determination of Equilibrium Constants

Journal of the American Chemical Society, 1959
Norman J Rose, Russell S. Drago
exaly   +2 more sources

Theoretical study of spectroscopic constants and molecular properties of rare‐gas diatomic cations

International Journal of Quantum Chemistry, 2006
AbstractAb initio and density functional methods are applied to study the spectroscopic constants and molecular properties of the diatomic cations He, Ne, Ar, HeNe+, and HeAr+. Among these cations, HeAr+ is found to be weakly bound and its spectroscopic constants are calculated using the Lennard‐Jones potential.
N. C. Bera, I. Bhattacharyya, A. K. Das
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Spectroscopic Parameter and Molecular Constant Investigations for Low-Lying Electronic States of P2 Molecule

Computational and Theoretical Chemistry, 2011
Abstract The potential energy curves (PECs) of four low-lying electronic states of the P 2 molecule, X 1 Σ g + , a 3 Σ u + , b ′ 3 Σ u - and A 1 Π g , have been studied using the full valence complete active space self-consistent field (CASSCF) method followed
De-Heng Shi, Jie-Min Wang, Jin-Feng Sun
exaly   +2 more sources

Higher order spectroscopic constants and ionic potentials in molecular spectroscopy

Journal of Molecular Structure: THEOCHEM, 1983
Ionic Kratzer-type potentials (such as the Varshni V-potential) are shown to be consistent with all observed lower- and higher-order spectroscopic constants αe, ωeχe, βe and γe for over thirty diatomics of widely differing ionic characters. All higher Dunham coefficients can be derived from the first, which is itself related to the force constant.
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Ground state spectroscopic constants of H15NCS, HN13CS, and HNC34S, and the molecular structure of isothiocyanic acid

Journal of Molecular Spectroscopy, 1980
Abstract The rotational spectrum of isothiocyanic acid was measured for the isotopically enriched species H15NCS and HN13CS as well as HNC34S in natural abundance. In the frequency range from 8 to 240 GHz the a-type R-branch transitions were measured for all three isotopic species.
Koichi Yamada, Manfred Winnewisser, Gisbert Winnewisser, L.B Szalanski, M.C.L Gerry   +4 more
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Spectroscopic studies on molecular association: Structures of some o-hydroxylbenzenesulfonanilides and determination of acidity constants

Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 1995
Abstract The molecular association structures of some o-hydroxylbenzenesulfonanilides (HBSAs) are discussed by examining the IR and electronic absorption spectra. The tendencies of HBSA molecules to associate are totally different and it is shown that steric hindrance is an important factor in preventing HBSA molecules from associating with each ...
Xiaolin Sun, Min Xin, Zhe Li
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Spectroscopic parameter and molecular constant investigations for low‐lying electronic states of P ion

International Journal of Quantum Chemistry, 2012
AbstractThe potential energy curves (PECs) of three low‐lying electronic states of P ion, X2Πu, A2Σ, and B2Σ, have been studied using the full valence complete active space self‐consistent field method followed by the highly accurate valence internally contracted multireference configuration interaction (MRCI) approach and MRCI with Davidson correction
Jie‐Min Wang, Heng‐Qiang Feng, Jin‐Feng Sun   +2 more
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