Results 221 to 230 of about 32,342 (259)

Molecular spectroscopic constants of O2(B3Σ−): The upper state of the Schumann-Runge bands

Journal of Molecular Spectroscopy, 1986
Abstract Spectroscopic constants of the B3Σu− state of O2 for 0 ≤ v′ ≤ 17 have been determined from the experimental data of K. Yoshino, D. E. Freeman, and W. H. Parkinson [J. Phys. Chem. Ref. Data 13, 207–227 (1984)] on the high-resolution absorption spectrum of the Schumann-Runge bands.
Cheung, ASC, Parkinson, WH, Yoshino, K, Freeman, DE   +3 more
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Interpolated values of spectroscopic constants of asymmetric alkali molecules and molecular ions

The Journal of Chemical Physics, 1975
With a very simple interpolation procedure, a number of fundamental spectroscopic constants (ground-state energies, equilibrium distances, force constants, and frequencies) for asymmetric alkali molecules and alkali molecular ions are estimated, starting from the corresponding values of the symmetric molecules and ions.
P. Cavaliere, G. Ferrante, L. Lo Cascio
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Dissociation enthalpy, spectroscopic constants, and other properties of selenium monofluoride (SeF) from a molecular orbital study

Journal of Chemical Physics, 1974
O'Hare P A G
exaly   +2 more sources

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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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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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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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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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
Jin-Feng Sun, Jie-Min Wang, De-Heng Shi
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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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Molecular constants at ground state of HD16O (H16OD) obtained from spectroscopic method

2016
This chapter provides the molecular constants for ground state of triatomic HD16O (H16OD) molecule measured using spectroscopic method and theoretical calculation.
G. Guelachvili, N. Picqué
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