Hydrogen as a cause of doping in zinc oxide

Zinc oxide, a wide-band-gap semiconductor with many technological applications, typically exhibits n-type conductivity. The cause of this conductivity has been widely debated. A first-principles investigation, based on density functional theory, produces strong evidence that hydrogen acts as a source of conductivity: it can incorporate in high concentrations and behaves as a shallow donor. This behavior is unexpected and very different from hydrogen's role in other semiconductors, in which it acts only as a compensating center and always counteracts the prevailing conductivity. These insights have important consequences for control and utilization of hydrogen in oxides in general.     

Enantioselective Cobalt-Catalyzed Intermolecular Hydroacylation of 1,6-Enynes

We report a cobalt-catalyzed hydroacylation of 1,6-enynes with exogenous aldehydes in a domino sequence to construct enantioenriched ketones. The products were obtained in good yields with excellent regio-, diastereo-, and enantioselectivity. Furthermore, the chiral products served as valuable precursors to access complex spirocyclic scaffolds with three contiguous stereocenters. The asymmetric hydroacylation process exhibited no C−H crossover and no KIE, thus indicating that the C−H bond cleavage was not involved in the turnover-limiting step.     

Quasi-isometries between groups with infinitely many ends

Let G, F be finitely generated groups with infinitely many ends and let? be graph of groups decompositions of F, G such that all edge groups are finite and all vertex groups have at most one end. We show that G, F are quasi-isometric if and only if every one-ended vertex group of is quasi-isometric to some one-ended vertex group of and every one-ended vertex group of is quasi-isometric to some one-ended vertex group of?. From our proof it also follows that if G is any finitely generated group, of order at least three, the groups: and are all quasi-isometric. Received: April 7, 2000; revised version: October 6, 2000     

隐函数曲面的实时采样与三角化技术

采用逐步蔓延采样点和三角形的方法，给出了3个算法用于隐函数曲面的采样和三角化，这些算法使得隐函数曲面的重复绘制和控制都能实时进行，其采样方法具有局部适应性，能随着曲率的变化自动控制采样点的疏密程度，从而使得采样点尽量少，但又不至于遗漏表面细节，提出的三角化方法能用于其它散乱数据点的表面重构，它的算法复杂度仅为O(n)。     

Rate of reaction of N with CN (υ = 0,1)

CN radicals were generated by 193 nm ArF laser flash photolysis of C₂N₂ in a fast-flow system, and their decay was monitored by dye-laser-induc     

Structural analysis of synthetic homo- and copolyesters by electrospray ionization on a fourier transform ion cyclotron resonance mass spectrometer

The molecular structure of a series of homo- and copolyesters was studied using sustained off-resonance irradiation collisionally activation dissociation on a Fourier transform ion cyclotron resonance mass spectrometer. Electrospray ionization was used as an ionization technique. The most important fragmentation pathways of the homopolyesters poly(dipropoxylated bisphenol-A/adipic acid) and poly(dipropoxylated bisphenol-A/isophthalic acid) were studied. Six different dissociation mechanisms were observed which are very similar to the mechanisms found to occur during pyrolysis of these compounds. Four of these mechanisms are a result of cleavages of the ester bond and the others are due to cleavages of the ether bond or bisphenol-A unit. Some of the fragments expected are not present in the spectrum, indicating that each fragment has a specific sodium affinity. Sequence-specific fragments of two of the three copolyester sequences that theoretically can exist were experimentally observed. Fragments that originate from the third sequence are not unique and can also be formed from other sequences. Therefore, it was not possible to determine the presence of the third sequence. Copyright 2000 John Wiley & Sons, Ltd.