This paper can be seen as a continuation of the works contained in the recent article (J. Alg., 305 (2006), 949-956) of the second author, and those of Juan Migliore (math. AC/0508067). Our results are:
1). There exist codimension three artinian level algebras of type two which do not enjoy the Weak Lefschetz Property (WLP). In fact, for , we will construct a codimension three, type two -vector of socle degree such that all the level algebras with that -vector do not have the WLP. We will also describe the family of those algebras and compute its dimension, for each .
2). There exist reduced level sets of points in of type two whose artinian reductions all fail to have the WLP. Indeed, the examples constructed here have the same -vectors we mentioned in 1).
3). For any integer , there exist non-unimodal monomial artinian level algebras of codimension . As an immediate consequence of this result, we obtain another proof of the fact (first shown by Migliore in the above-mentioned preprint, Theorem 4.3) that, for any , there exist reduced level sets of points in whose artinian reductions are non-unimodal.
Multiconfigurational high‐level electronic structure calculations show that the ${{\rm Al}{{- \hfill \atop 3\hfill}}}$ ring‐like cluster anion has three close low‐lying electronic states of different spin, all of them having strong multiconfigurational character. The aromaticity of the cluster has, therefore, been studied by means of total electron delocalization and normalized multicenter electron delocalization indices evaluated from the multiconfigurational wave functions of each state. The lowest‐lying singlet and triplet states are found to be highly aromatic, whereas the next lowest‐lying state, the quintet state, has much less, though non‐negligible, aromatic character. 相似文献
Three‐level versions of Multilevel Simultaneous Component Analysis (MLSCA) and Multilevel Partial Least Squares (MLPLS) were developed, which are capable of separating between‐plant, between‐run and within‐run process variation, and modeling these three levels in a multivariate way. In comparison to the two‐level versions they allow to discriminate between overall differences between plants and the variation between runs within a plant. It was shown that the three‐level version of MLSCA has clear added value for the analysis of process runs from different plants. In MLPLS other projections of the multivariate data onto latent variables and different views of the data are obtained when relevant Y information is available. This has clear added value for obtaining insight into the relation between process data and Y. A special use of MLPLS is to diagnose aberrations in first principles models. In batch process monitoring MLSCA at three levels allows simultaneous multivariate modelling of batch data from different manufacturing plants. By filtering out the between‐plant and between‐run sources of variation, and using only within‐run variation, monitoring models can be improved. Using within‐run data, it is possible to build monitoring models across manufacturing units and reduce the number of nuisance alarms, while improving abnormal situation detection and diagnosis. Model transfer is only possible if static between‐plant differences exist, but not if there are dynamic differences. 相似文献
Quantum chemical methods are used to study the solvent effects on the spectra of indole and a series of methyl‐substituted indoles. We focus on the low‐lying La and Lb states and study their interplay. We find that the solvent mainly affects emission from the La state, by stabilizing its energy in its excited‐state geometry. The stabilization of the La state increases with increasing solvent polarity, which accounts for the large fluorescence shift observed in indoles and leads to an inversion in the nature of the lowest emitting state, from Lb in vacuum to La in water. To the best of our knowledge, this is the first theoretical evidence for level inversion done for a series of indoles. The underlying mechanism of level inversion is analyzed in detail. The usual interpretation of level inversion in terms of their static dipole moment is criticized and an improved predictive measurement is suggested. 相似文献