Results 71 to 80 of about 2,512 (98)
The Symmetries of the Three Heavy Quark Bound State and the Singlet Static Energy
, 2013 Felix Karbstein
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State-resolved thermalization of singlet and mixed singlet-triplet states of CH2
The Journal of Chemical Physics, 2006The role of mixed states in the collision-induced thermalization, intersystem crossing, and reactive loss of CH2 (ãA11) has been monitored using Doppler-resolved transient frequency modulation absorption spectroscopy. Singlet CH2 is produced in a hot initial distribution of translation and rotational energy states in the 308nm photodissociation of ...
Anatoly V. Komissarov +3 more
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The lowest singlet states of octatetraene revisited
The Journal of Chemical Physics, 2011The two lowest excited singlet states of all-trans-1,3,5,7-octatetraene, 2 1A−g and 1 1B+u, are studied by means of high level ab initio methods computing the vertical and adiabatic excitation energies for both states and the vertical emission energy for the \documentclass[12pt]{minimal}\begin{document}${1{\hspace{1.42271pt}}{^1{\rm A}_g^-}}$\end ...
ANGELI, Celestino, M. Pastore
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Dimethylcarbene: A Singlet Ground State?
Journal of the American Chemical Society, 1995AbstractChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Henry F. Schaefer +3 more
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The Journal of Chemical Physics, 2000
The potential curves of low-lying singlet states of Be2 are computed in the hierarchy of coupled-cluster (CC) models: CCS, CC2, CCSD, and CC3 from the ground-state energy and linear response excitation energies. The results are compared with full configuration interaction (FCI) values.
Pecul, Magdalena +3 more
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The potential curves of low-lying singlet states of Be2 are computed in the hierarchy of coupled-cluster (CC) models: CCS, CC2, CCSD, and CC3 from the ground-state energy and linear response excitation energies. The results are compared with full configuration interaction (FCI) values.
Pecul, Magdalena +3 more
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Singlet Rydberg states of ethylene
The Journal of Chemical Physics, 1977A configuration interaction scheme is employed to calculate all n=3 Rydberg states of ethylene derived from the excitation of a π electron. This scheme is designed to account for the small amount of correlation energy of the Ryberg electron and to facilitate calculation of term values from a corresponding calculation on the positive ion.
Larry E. McMurchie, Ernest R. Davidson
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Triplet Pair States in Singlet Fission
Chemical Reviews, 2019This account aims at providing an understanding of singlet fission, i.e., the photophysical process of a singlet state ( S1) splitting into two triplet states (2 × T1) in molecular chromophores. Since its discovery 50 years ago, the field of singlet fission has enjoyed rapid expansion in the past 8 years.
Kiyoshi Miyata +3 more
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Chemical Physics Letters, 1980
The 4067 A line of the krypton-ion laser covers two transitions in the BO+u-X O+g system of 130Te2, R(36) in the 16-0 band and R(172) in the 18-0 band. Subsequent fluorescence has been recorded by Fourier transform spectrometry in the range 5900 to 15000 cm−1. Many transitions, with v'' in the range 0 to 47, have been assigned to a new system, B O+u-b1
J. D'lncan +4 more
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The 4067 A line of the krypton-ion laser covers two transitions in the BO+u-X O+g system of 130Te2, R(36) in the 16-0 band and R(172) in the 18-0 band. Subsequent fluorescence has been recorded by Fourier transform spectrometry in the range 5900 to 15000 cm−1. Many transitions, with v'' in the range 0 to 47, have been assigned to a new system, B O+u-b1
J. D'lncan +4 more
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Density matrix tomography of singlet states
Journal of Magnetic Resonance, 2010First direct and quantitative study of singlet states using density matrix tomography is reported. A robust scheme for the tomography of a general density matrix of two spin 1/2 nuclei is introduced for this purpose. The study is carried out at different spin-lock conditions and the results are compared.
Soumya Singha Roy, T. S. Mahesh
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Paramagnetic relaxation of nuclear singlet states
Physical Chemistry Chemical Physics, 2011Nuclear singlet states often display lifetimes that are much longer than conventional nuclear spin relaxation times. Here we investigate the effect of dissolved paramagnetic species on the singlet relaxation of proton pairs in solution. We find a linear correlation between the singlet relaxation rate constant T and the longitudinal relaxation rate ...
Tayler, Michael C.D., Levitt, Malcolm H.
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