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M. Kimura M.A. Dillon R.J. Buenker G. Hirsch Y. Li L. Chantranupong 《Zeitschrift für Physik D Atoms, Molecules and Clusters》1996,38(2):165-169
The CO B-X and O2 B′-X transitions are analyzed with the help of ab initio MRD-CI calculations. In both cases a violation of a well-known rule in electron energy loss spectra (EELS) is observed, namely that the intensity distribution of vibrational bands is normally independent of both the scattering angle and the incident electron energy. In both cases strongly avoided crossings are shown to be responsible for the unusual appearance of the EELS. The analysis is simplified by making use of the R-centroid approximation, which was originally developed to organize and systematize optical absorption and emission data. It is concluded that a breakdown of the intensity distribution invariance in EELS should occur for a wide class of transitions in which avoided crossings lead to rapid variations in the electronic transition moment as a function of internuclear separation. 相似文献
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Asymmetric synthesis of d-Sotalol (2) was accomplished by chiral homogenous hydrogenation of (4-isopropylaminoacetyl)methane-sulfonanilide hydrochloride (1). 相似文献
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Stphanie M. Cornet Keith B. Dillon Judith A. K. Howard Philippa K. Monks Amber L. Thompson 《Acta Crystallographica. Section C, Structural Chemistry》2009,65(5):o195-o197
In the title compound, C9H4F9O2P, molecules are linked by a single O—H...O hydrogen bond into chains related to those in phenylphosphinic acid. There are short intramolecular F...P contacts. 相似文献
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Interest in hydrogen as a fuel has grown dramatically since 1990, and many advances in hydrogen production and utilization
technologies have been made. However, hydrogen storage technologies must be significantly advanced if a hydrogen based energy
system, particularly in the transportation sector, is to be established. Hydrogen can be made available on-board vehicles
in containers of compressed or liquefied H2, in metal hydrides, via chemical storage or by gas-on-solid adsorption. Although each method possesses desirable characteristics,
no approach satisfies all of the efficiency, size, weight, cost and safety requirements for transportation or utility use.
Gas-on-solid adsorption is an inherently safe and potentially high energy density hydrogen storage method that could be extremely
energy efficient. Consequently, the hydrogen storage properties of high surface area “activated” carbons have been extensively
studied. However, activated carbons are ineffective in storing hydrogen because only a small fraction of the pores in the
typically wide pore-size distribution are small enough to interact strongly with hydrogen molecules at room temperatures and
moderate pressures. Recently, many new carbon nanostructured absorbents have been produced including graphite nanofibers and
carbon multi-wall and single-wall nanotubes. The following review provides a brief history of the hydrogen adsorption studies
on activated carbons and comments on the recent experimental and theoretical investigations of the hydrogen adsorption properties
of the new nanostructured carbon materials.
Received: 16 October 2000 / Accepted: 15 November 2000 / Published online: 9 February 2001 相似文献