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排序方式: 共有316条查询结果,搜索用时 15 毫秒
1.
J. Wang J. Kono A. Oiwa H. Munekata C. J. Stanton 《Superlattices and Microstructures》2003,34(3-6):563
We have carried out an ultrafast time-resolved differential reflectivity study of a ferromagnetic semiconductor InGaMnAs and made a systematic comparison with low-temperature grown and high-temperature grown InGaAs reference films. Very short carrier lifetimes (2 ps) were observed in InGaMnAs and the low-temperature grown InGaAs film, but not in the high-temperature grown InGaAs film. We attribute the short lifetimes to carrier trapping by mid-gap states introduced during low-temperature MBE growth. Furthermore, at long times, we observed periodic oscillations in the differential reflectivity signal with period 20 ps, which we interpret as coherent acoustic phonons. 相似文献
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Y. Sun G. D. Sanders F. V. Kyrychenko C. J. Stanton G. A. Khodaparast J. Kono Y. H. Matsuda N. Miura H. Munekata 《Physica E: Low-dimensional Systems and Nanostructures》2004,20(3-4):374
We present a theoretical and experimental study of electron-active cyclotron resonance in p-doped InMnAs in high magnetic fields. Results are based on an 8-band Pidgeon–Brown model generalized to include finite kz effects and s(p)–d exchange interaction between itinerant carriers and Mn d-electrons. The e-active transitions in the valence band in p-doped samples take place due to the nature of multiple valence bands (heavy and light holes). We have calculated the absorption spectra in high magnetic fields and identified optical transitions which contribute to the cyclotron resonance for both e-active and h-active polarizations. Calculations show agreement with experimental results. 相似文献
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TREN-Me-3,2-HOPO, TR322-Me-3,2-HOPO, TR332-Me-3,2-HOPO, and TRPN-Me-3,2-HOPO correspond to stepwise replacement of ethylene by propylene bridges. A series of tripodal, hexadentate hydroxypyridinone ligands are reported. These incorporate 1-methyl-3,2-hydroxypyridinone (Me-3,2-HOPO) bidentate chelating units for metal binding. They are varied by systematic enlargement of the capping scaffold which connects the binding units. The series of ligands and their iron complexes are reported. Single crystal X-ray structures are reported for the ferric complexes of all four tripodal ligands: FeTREN-Me-3,2-HOPO.0.375C(4)H(10)O.0.5CH(2)Cl(2) [P2(1)/n (No. 14), Z = 8, a = 20.478(3) A, b = 12.353(2) A, c = 27.360(3) A; beta = 91.60(1) degrees ]; FeTR322-Me-3,2-HOPO.CHCl(3).0.5C(6)H(14).CH(3)OH.0.5H(2)O [P2(1)/n (No. 14), Z = 4, a = 12.520(3) A, b = 22.577(5) A, c = 16.525(3) A; beta = 111.37(3) degrees ]; FeTR332-Me-3,2-HOPO.3.5CH(3)OH [C2/c (No. 15), Z = 8, a = 13.5294(3) A, b = 19.7831(4) A, c = 27.2439(4) A; beta = 101.15(3) degrees ]; FeTRPN-Me-3,2-HOPO.C(3)H(7)NO.2C(4)H(10)O [P1 (No. 2), Z = 2, a = 11.4891(2) A, b = 12.3583(2) A, c = 15.0473(2) A; alpha = 86.857(1) degrees, beta = 88.414(1) degrees, gamma = 70.124(1) degrees ]. The structures show the importance of intermolecular hydrogen bonds and the effect of cap enlargement to the stability and geometry of the metal complexes throughout the series. All protonation and iron complex formation constants have been determined from solution thermodynamic studies. The TREN-capped derivative is the most acidic, with a cumulative protonation constant, log beta(014), of 25.95. Corresponding values of 26.35, 26.93, and 27.53 were obtained for the TR322, TR332, and TRPN derivatives, respectively. The protonation constants and NMR spectroscopic data are interpreted as being due to the influence of specific hydrogen-bond interactions. The incremental enlargement of ligand size results in a decrease in iron-chelate stability, as reflected in the log beta(110) values of 26.8, 26.2, 26.42, and 24.48 for the TREN, TR322, TR332, and TRPN derivatives, respectively. The metal complex formation constants are also affected by the acidity of a proximal (non-metal-binding) amine in the complexes, a trend consistent with the effects of internal hydrogen bonding. The ferric complexes display reversible reduction potentials (measured relative to the normal hydrogen electrode (NHE)) between -0.170 and -0.223 V. 相似文献
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A new method is presented for treating the effects of quadruple excitations in coupled-cluster theory. In the approach, quadruple excitation contributions are computed from a formula based on a non-Hermitian perturbation theory analogous to that used previously to justify the usual noniterative triples correction used in the coupled cluster singles and doubles method with a perturbative treatment of the triple excitations (CCSD(T)). The method discussed in this paper plays a parallel role in improving energies obtained with the full coupled-cluster singles, doubles, and triples method (CCSDT) by adding a perturbative treatment of the quadruple excitations (CCSDT(Q)). The method is tested for an extensive set of examples, and is shown to provide total energies that compare favorably with those obtained with the full singles, doubles, triples, and quadruples (CCSDTQ) method. 相似文献
6.
Inchul Shin Ian Davis Karinel Nieves-Merced Yifan Wang Stanton McHardy Aimin Liu 《Chemical science》2021,12(11):3984
SfmD is a heme-dependent enzyme in the biosynthetic pathway of saframycin A. Here, we present a 1.78 Å resolution de novo crystal structure of SfmD, which unveils a novel heme cofactor attached to the protein with an unusual HxnHxxxC motif (n ∼ 38). This heme cofactor is unique in two respects. It contains a single thioether bond in a cysteine–vinyl link with Cys317, and the ferric heme has two axial protein ligands, i.e., His274 and His313. We demonstrated that SfmD heme is catalytically active and can utilize dioxygen and ascorbate for a single-oxygen insertion into 3-methyl-l-tyrosine. Catalytic assays using ascorbate derivatives revealed the functional groups of ascorbate essential to its function as a cosubstrate. Abolishing the thioether linkage through mutation of Cys317 resulted in catalytically inactive SfmD variants. EPR and optical data revealed that the heme center undergoes a substantial conformational change with one axial histidine ligand dissociating from the iron ion in response to substrate 3-methyl-l-tyrosine binding or chemical reduction by a reducing agent, such as the cosubstrate ascorbate. The labile axial ligand was identified as His274 through redox-linked structural determinations. Together, identifying an unusual heme cofactor with a previously unknown heme-binding motif for a monooxygenase activity and the structural similarity of SfmD to the members of the heme-based tryptophan dioxygenase superfamily will broaden understanding of heme chemistry.The de novo crystal structure of SfmD reveals a novel c-type heme cofactor for promoting a monooxygenation reaction in the biosynthetic pathway of saframycin A. 相似文献
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On the physical interpretation of QSAR models 总被引:1,自引:0,他引:1
Stanton DT 《Journal of chemical information and computer sciences》2003,43(5):1423-1433