Results 131 to 140 of about 30,690 (171)

Spectroscopic constants and molecular properties of diatomic carbides

Journal of Molecular Spectroscopy, 2004
Abstract Spectroscopic constants and molecular properties of the diatomic carbides BeC, BC + , BC, NaC, and MgC in their ground states have been studied in detail using hybrid HF/DF B3LYP method. The effect of basis set on spectroscopic constants and molecular properties have been studied systematically with the improvement of the quality of the ...
S Midda, A.K Das
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Microwave spectrum of P14N and P15N: Spectroscopic constants and molecular structure

Journal of Molecular Structure, 2006
Abstract In the present work the J +1← J , with J =1–3, 6, 7, 10–16, rotational transitions of P 14 N and the J +1← J , with J =1, 2, 7, 8, 10–14, rotational transitions of P 15 N have been observed in the millimeter- and submillimeter-wave region.
CAZZOLI, GABRIELE, CLUDI, LINO, PUZZARINI, CRISTINA   +2 more
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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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Spectroscopic constants and molecular properties of AlC and SiC in their ground state

Journal of Molecular Structure: THEOCHEM, 2003
Abstract Spectroscopic constants and molecular properties of monocarbides AlC and SiC have been studied in their ground state using hybrid HF/DF B3LYP method. The effect of basis set on the spectroscopic constants and molecular properties has been discussed.
S. Midda, A.K. Das
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Dissociation enthalpy, spectroscopic constants, and other properties of selenium monofluoride (SeF) from a molecular orbital study

The Journal of Chemical Physics, 1974
P.A.G. O’Hare
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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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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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Theoretical study of spectroscopic constants and molecular properties of diatomic anions using B3LYP method

Journal of Molecular Structure: THEOCHEM, 2003
Abstract Structure, spectroscopic constants and molecular properties of selected diatomic anions in their ground states have been studied in detail using HF/DF B3LYP method. The consistency of the calculated values of spectroscopic constants and molecular properties has been tested using four basis sets with improved quality.
S Midda, A.K Das
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Erratum: Computed Potential Curve and Spectroscopic Constants for Beryllium Oxide Ground State in Molecular Orbital Approximation

The Journal of Chemical Physics, 1964
M. Yoshimine
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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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