Results 281 to 290 of about 3,606,632 (351)

Universal scaling features of spectroscopic constants for diatomic systems

The Journal of Chemical Physics, 2006
Based on a new criterion that was proposed to search for the universality of spectroscopic constants for bound ground-state diatomics [R. H. Xie and P. S. Hsu, Phys. Rev. Lett. 96, 243201 (2006)], we have found universal scaling relations between spectroscopic constants of diatomic systems with s-, p-, and d-type valence-shell constituents.
Rui-Hua, Xie, Michael C, Heaven
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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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Spectroscopic determination of the optical deformation-potential constant in semiconductors

Physical Review Letters, 1991
The optical deformation-potential constant, otherwise inaccessible in undoped materials, is measured in CdSe by optical spectroscopy with subpicosecond time resolution. The phonon-assisted transitions from B to A excitons occur with a decay time of 0.9 ps, determined by pump-and-probe experiments.
, Braun, , Rühle, , Trallero-Giner, , Collet   +3 more
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Spectroscopic determination of protein: Ligand binding constants

Journal of Chemical Education, 1987
A brief theoretical background for the spectroscopic treatment of protein-ligand interactions and a procedure to determine binding constants using absorption or fluorescence measurements.
Aydin Orstan, John F. Wojcik
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Spectroscopic constants and potential energy curves for TaH

Journal of Molecular Spectroscopy, 1991
Abstract Spectroscopic constants and potential energy curves of 21 electronic states of the diatomic TaH are computed using complete active space multiconfiguration self-consistent field (CASSCF) followed by second-order configuration interaction (SOCI) calculations.
W. Cheng, K. Balasubramanian
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Spectroscopic constants and potential energy curves of SnF

Chemical Physics Letters, 1994
Abstract Spectroscopic constants and potential energy curves of 20 electronic states of SnF arising from valence dissociation limits are computed using the complete active space MCSCF (CASSCF) followed by first- and second-order configuration interaction (FOCI, SOCI) methods, which included up to one million configurations. Our computed spectroscopic
Dingguo Dai, K. Balasubramanian
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On the determination of spectroscopic constants as functions of intramolecular parameters

Journal of Physics B: Atomic, Molecular and Optical Physics, 1989
The symmetrised form of the operator Van Vleck perturbation theory is considered (the irreducible tensorial set theory is used as the mathematical basis of this consideration). General formulae which define spectroscopic rotational, centrifugal and resonance constants of molecules as functions of reduced matrix elements of vibrational operators are ...
A E Cheglokov, O N Ulenikov, A S Zhilyakov, V N Cherepanov, Y S Makushkin, A B Malikova   +5 more
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Spectroscopic constants for the ν9 infrared band of HNO3

Journal of Molecular Spectroscopy, 1988
Abstract High-resolution infrared measurements have been made on the ν 9 band of HNO 3 from 414 to 500 cm −1 . Over 2300 transitions have been measured, assigned, and fit to obtain 15 rovibrational constants for the v 9 = 1 state that reproduce the observed spectrum with a RMS deviation of 0.0004 cm −1 .
Aaron Goldman, James B. Burkholder, Carleton J. Howard, Rafael Escribano, Arthur G. Maki   +4 more
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Spectroscopic constants and potential energy curves for Hg2

Chemical Physics Letters, 1992
Received 8 April 1992; in final form 12 May 1992 We compute the spectroscopic constants and potential energy curves of Hg, using relativistic ab initio complete active space multi-configuration self-consistent field followed by first-, second-order configuration interaction and relativistic configuration interaction calculations. Our computed constants
K. Balasubramanian, K.K. Das, D.W. Liao
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Calculated Spectroscopic Constants and the Equilibrium Geometry of HCNH+

Journal of Molecular Spectroscopy, 1994
Abstract An accurate equilibrium geometry has been determined for HCNH + by combination of experimental B 0 values with α i values obtained from large-scale CCSD(T) calculations: r le (CH)1.0779(2) A, R e (CN) 1.1340(1) A, and r 2e (NH) = 1.0123(3) A.
P. Botschwina, A. Heyl, M. Horn, J. Flugge   +3 more
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