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91.
Maja Ponikvar-Svet Diana N. Zeiger Loryn R. Keating Joel F. Liebman 《Structural chemistry》2013,24(6):2101-2114
The contents of issues 1 and 2 for the calendar year 2013 are summarized in the current review of the journal Structural Chemistry. In addition, a brief thermochemical commentary is added to the summary of each paper. 相似文献
92.
This essay is the introductory paper for a special issue of Structural Chemistry explicitly dedicated to the premier Spanish calorimetrist and thermochemist, our colleague and friend, María Victoria Roux. The studies in this issue were written on the occasion of her recent retirement from the CSIC Institute of Physical Chemistry “Rocasolano,” Madrid. 相似文献
93.
In this paper we report a simple methodology for obtaining (+) trans - 1,2 - epoxylimonene (1b) in high purity (>99% HRGC) and reasonable quantity. The mixture of 1a and 1b in CH2Cl2 is stirred with 1M NaHSO3 in water. Under these conditions 1a is completely destroyed, while 1b is only partially destroyed. 相似文献
94.
Joel A. Tropp 《Probability Theory and Related Fields》2012,153(3-4):759-769
This note demonstrates that it is possible to bound the expectation of an arbitrary norm of a random matrix drawn from the Stiefel manifold in terms of the expected norm of a standard Gaussian matrix with the same dimensions. A related comparison holds for any convex function of a random matrix drawn from the Stiefel manifold. For certain norms, a reversed inequality is also valid. 相似文献
95.
Aloysius Soon Joel Wallman Bernard Delley Catherine Stampfl 《Current Applied Physics》2013,13(8):1707-1712
We present a trend study of a large variety of dopants at the cation site in Cu2O (i.e. substituting Cu), focussing largely on the early 3d-, 4d-, and 5d-transition metals (TMs) in which many of them are known to be non-magnetic. We also include s-, sp- and d10-metals for comparison. We find that doping with sp-elements results in zero spin moment while dopants with a partially filled d-band show a stronger tendency to magnetize and 3d-TM dopants exhibit a larger magnetic moment than most of the 4d- and 5d-TM dopants. From this trend study, we also find a correlation between their substitution enthalpy and associated interatomic relaxations. In particular, Ti-doped Cu2O appears to be an interesting system, given its “peculiar” ability to exhibit a spin moment when doped with a non-magnetic substituent like Ti. We also find that the interaction between two doped Ti atoms in Ti2:Cu2O is predominantly antiferromagnetic, and interestingly (and unexpectedly), this interaction rapidly declines as a function of inter-dopant distance, as in the case for the magnetic late-TM dopants like Co2:Cu2O. 相似文献
96.
We study the periodic homogenization for a family of functionals defined on Orlicz-Sobolev spaces. One fundamental in this topic is to extend the classical compactness results of the two-scale convergence method to this type of spaces. 相似文献
97.
2-Aminotetrahydropyrimidines were synthesised on solid-phase via a guanidinium intermediate and subsequent displacement of the tosylate by an imine. 相似文献
98.
The assertion that every definable set has a definable element is equivalent over to the principle , and indeed, we prove, so is the assertion merely that every Π2‐definable set has an ordinal‐definable element. Meanwhile, every model of has a forcing extension satisfying in which every Σ2‐definable set has an ordinal‐definable element. Similar results hold for and and other natural instances of . 相似文献
99.
Optimization Letters - Differential evolution (de) is a popular population-based meta-heuristic that has been successfully used in complex optimization problems. Premature convergence is one of the... 相似文献
100.
The contents of issues 3 and 4 of Structural Chemistry from the calendar year 2018 are summarized in the present review. A brief thermochemical commentary and recommendations for future research have been added to the summary of each paper.
相似文献