Temperature dependence of rate constants for Tb (super 3plus) (super 5) D (sub 3) cross relaxation in symmetric Tb (super 3plus) pairs in Tb-doped CsCdBr (sub 3), CsMgBr (sub 3), CsMgCl (sub 3)
Article Abstract:
A study was conducted which strongly indicated that Tb (super 5) D (sub 3) cross relaxation in symmetrical Tb (super 3plus)-Tb (super 3plus) pairs in CsCdBr (sub 3), CsCdBr (sub 3), and CsMgCl (sub 3) id sue to resonance between zero-phonon crystal-field transitions on the donor and acceptor. Cross relaxation in these systems is therefore, "resonant"' in the sense that only donor and acceptor transition with significant direct overlap of the zero-phonon spectral lines participate in active transfer mechanisms,
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2003
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Hydrogen elimination and solid-state reaction in hydrogen-bonded systems under pressure: the case of HBr
Article Abstract:
The stability of HBr against hydrogen elimination has been analyzed with subsequent solid-state reaction of Br2 formation in a sample with hydrogen deficiencies. The simulations suggest that the undercoordinated Br atoms in H-deficient HBr are not reactive under high pressure because of delocalization of the holes doped by H vacancies and the high diffusivity of H atoms.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2000
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An initio study of dehydroxylation-carbonation reaction on brucite surface
Article Abstract:
The sequence of events that leads to the formation of a magnesite layer, via the dehydroxylation-carbonation of brucite crystals and consequent adsorption and diffusion of carbon complexes are explained. The metadynamics methodology is employed to characterize the complex reaction pathways and depicting the related free energy surface.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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