Results 211 to 220 of about 32,342 (259)

Hyperfine-resolved rovibrational and rotational spectroscopy of OH⁺ (<i>X</i>³Σ^-).

Phys Chem Chem Phys
Silva WGDP, Schneider L, Graf UU, Müller HSP, Jusko P, Jacob AM, Riechers D, Schlemmer S, Asvany O.   +8 more
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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
exaly   +2 more sources

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.
Cristina Puzzarini, Gabriele Cazzoli
exaly   +4 more sources

Spectroscopic constants and molecular properties of AlC and SiC in their ground state

Computational and Theoretical Chemistry, 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
exaly   +2 more sources

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
Herzberg G
exaly   +2 more sources

Theoretical study of spectroscopic constants and molecular properties of diatomic anions using B3LYP method

Computational and Theoretical Chemistry, 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
exaly   +2 more sources

Use of Mo/ller-Plesset perturbation theory in molecular calculations: Spectroscopic constants of first row diatomic molecules

Journal of Chemical Physics, 1998
The convergence of Mo/ller–Plesset perturbation expansions (MP2–MP4/MP5) for the spectroscopic constants of a selected set of diatomic molecules (BH, CH, HF, N2, CO, and F2) has been investigated. It was found that the second-order perturbation contributions to the spectroscopic constants are strongly dependent on basis set, more so for HF and CO than ...
Kirk Peterson, Peterson Kirk A, Dunning Thom H   +2 more
exaly   +2 more sources

The database of spectroscopic constants of diatomic molecules (DSCDM): A dynamic and user-friendly interface for molecular physics and spectroscopy

Journal of Molecular Spectroscopy, 2023
Jesus Perez Rios, Daniel Julian
exaly   +2 more sources

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
exaly   +2 more sources

Molecular screening and spectroscopic constants

International Journal of Quantum Chemistry, 2009
The use of a semi-empirically determined orbital exponent is investigated in a 4-electron energy calculation of LiH. The results are compared to those of a 2-electron calculation by the same semi-empirical method. Selected spectroscopic constants are also calculated from the energy dependence upon internuclear distance.
Jess Thompson, Michael Povich, Boris Musulin   +2 more
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