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21.
Andrew P. Mendham John Spencer Babur Z. Chowdhry Trevor J. Dines Muhammad Mujahid Rex A. Palmer Graham J. Tizzard Simon J. Coles 《Journal of chemical crystallography》2011,41(9):1323-1327
Abstract
The cyclic di-amino acid peptide N,N′-diacetyl-cyclo(Gly-Gly), C8H10N2O4, crystallizes in the triclinic space group P[`1] Pbar{1} with unit cell parameters a = 9.4855(4) ?, b = 10.0250(3) ?, c = 10.0763(4) ?, α = 73.682(2)°, β = 82.816(2)°, γ = 81.733(2)°, V = 906.40(6) ?3, Z = 4 (2 molecules, A and B, per asymmetric unit), Dc = 1.452 g cm−3 and linear absorption coefficient 0.118 mm−1. The crystal structure determination was carried out with MoKα X-ray data measured at 120(2) K. In the final refinement cycle the data/restraints/parameter ratios were 4124/0/258 and goodness-of-fit on F2 = 1.0008. Final R indices for [I > 2σ(I)] were R1 = 0.0501, wR2 = 0.1007 and R indices (all data) R1 = 0.0864, wR2 = 0.11180. The largest electron density difference peak and hole were 0.241 and −0.232 e ?−3, respectively. The DKP rings in both molecules A and B have boat conformations with pseudo mm2 (C2v) symmetry if the N atoms and CH2 groups are considered identical. In each case, the prow and stern of the boat are the α-carbons C(3) and C(6). The overall molecular symmetry of molecules A and B is approximately C2 with the twofold symmetry axis of the DKP boat being maintained through the centre of the DKP ring. Details of the molecular geometry are compared with that of the parent compound cyclo(Gly-Gly) in which the DKP ring is planar with exact symmetry [`1] bar{1} (Ci). 相似文献22.
23.
E. Kapon M. Walther J. Christen M. Grundmann C. Caneau D.M. Hwang E. Colas R. Bhat G.H. Song D. Bimberg 《Superlattices and Microstructures》1992,12(4)
Quantum wire (QWR) heterostructures suitable for optoelectronic applications should meet a number of requirements, including defect free interfaces, large subband separation, long carrier lifetime, efficient carrier capture. The structural and opticl properties of GaAs/AlGaAs and InGaAs/GaAs quantum wire (QWR) heterostructures grown by organometallic chemical vapor deposition on nonplanr substrates, which satisfy many of these criteria, are described. These crescent-shaped QWRs are formed in situ during epitaxial growth resulting in virtually defect free interfaces. Effective wire widths as small as 10nm have been achieved, corresponding to electron subband separations greater than KBT at room temperature. The enhanced density of states at the QWR subbands manifests itself in higher optical absorption and emission as visualized in photoluminescence (PL), PL excitation, amplified spontaneous emission and lasing spectra of these structures. Effective carrier capture into the wires via connected quantum well regions, which is important for enhancing the otherwise extremely small capture cross section of these wires, has also been observed. Room temperature operation of GaAs/AlGaAs and strained InGaAs/GaAs QWR lasers with threshold currents as low as 0.6mA has been demonstrated. 相似文献
24.
25.
The strict application of IUPAC rules for the numbering of tropane alkaloids is not always applied by authors and there is hence a lot of confusion in the literature. In most cases, the notation of 3, 6/7-disubstituted derivatives has been chosen arbitrarily, based on NMR and MS data, without taking into account the absolute configuration of these two carbons. This paper discusses the problem and the relevance of CD and NMR to determine molecular configurations. We report on the use of (1)H-NMR anisochrony (Δδ) induced by the Mosher's chiral auxiliary reagents (R)-(-)- and (S)-(+)-α-methoxy-α-trifluoromethyl-phenylacetyl chlorides (MTPA-Cl), to determine the absolute configuration of (3R,6R)-3α-hydroxy-6β-senecioyloxytropane, a disubstituted tropane alkaloid isolated from the aerial parts of Schizanthus grahamii (Solanaceae). These analytical tools should help future works in correctly assigning the configuration of additional 3, 6/7 disubstituted tropane derivatives. 相似文献
26.
Marylgne Chollet‐Krugler Jean‐Louis Burgot E. Finner Marie‐Odile Christen 《Journal of heterocyclic chemistry》2003,40(1):155-158
Alkylation of 5‐[1‐hydroxyiminoalkyl]‐1,2‐dithiole‐3‐thiones using methyl iodide in the presence of sodium hydroxide gives derivatives which may be considered as being 5‐methylthio‐1‐oxa‐6,6a δIV‐dithia‐2‐azapentalenes with quantitative yields. The structure of oxadithiazapentalene attributed to the alkylation products is founded on X‐ray analysis and NMR and IR data. 相似文献
27.
Holger S.P. Müller Edward A. CohenDines Christen 《Journal of Molecular Spectroscopy》2002,216(2):335-344
The two lowest vibrational states of 35Cl35ClO2, v4=1 (A′) and v6=1 (A″), were investigated between 223 and 500 GHz. More than 250 rotational transitions were recorded with J and Ka up to 71 and 34, respectively. The spectra are heavily perturbed by strong c-type and weaker a-type Coriolis interactions. Near degeneracies of rotational levels of the two vibrational states having ΔJ=0, ΔKa=5 to 1, and ΔKa+ΔKc= odd cause moderate to severe perturbations in the rotational structure, preventing the states from being fit as isolated ones. Distortions in the hyperfine structure facilitated the assignment of rotational quantum numbers. Several resonantly interacting levels with ΔKa=5 to 2 were accessed, and a number of transitions between the states were observed. While resonant Coriolis interaction with ΔKa=1 occurs only at Ka>40, the effects of this interaction are so severe that nonresonant interaction considerably perturbs the highest KaQ-branches observed. The observed transitions could be fit to within experimental uncertainties employing the first-order Coriolis coupling constants fixed to those from the harmonic force field, sextic distortion constants fixed to those of the ground state, and some higher order Coriolis terms. The energy difference calculated from the fit agrees well with that obtained from the matrix-isolation infrared spectrum. Quadrupole coupling constants were determined for both Cl nuclei and both vibrational states. 相似文献
28.
J.R. Thompson Yang Ren Sun D.K. Christen L. Civale A.D. Marwick F. Holtzberg 《Physica A》1993,200(1-4):395-402
Studies of vortex dynamics and pinning were conducted in irradiated Y1Ba2Cu3O7 single crystals by observing the decay of supercurrents with time. The materials contained either point-like defects from proton irradiation or line-like defects from irradiation with energetic heavy ions. Analysis of the first case gives clear support for collective creep theory. With linear defects, the experiments give evidence for thermal smearing of the vortex pinning potential at higher temperatures, as predicted theoretically. 相似文献
29.
Lalla Hasna Abdeljebbar Munir Humam Philippe Christen Damien Jeannerat Bruno Vitorge Saaid Amzazi Abdelaziz Benjouad Kurt Hostettmann Khalid Bekkouche 《Helvetica chimica acta》2007,90(2):346-352
From the leaves of Withania adpressa, a plant endemic to Sahara of Morocco and Algeria, the novel steroidal lactone (22R)‐14α,15α,17β,20β‐tetrahydroxy‐1‐oxowitha‐2,5,24‐trien‐26,22‐olide (= (15S,17S)‐14,15,17,20‐tetrahydroxy‐22,26‐epoxyergosta‐2,5,24‐triene‐1,26‐dione; 1 ), was isolated, along with three known compounds, withanolides F ( 2 ), J ( 3 ), and oleanolic acid. Their structures were mainly solved by in‐depth 1D‐ and 2D‐NMR (including ADEQUATE) experiments, as well as by HR‐MS analyses and chemical evidence. 相似文献
30.
Results of continuous excitation, time-delayed and time-resolved cathodoluminescence experiments on undoped and Be-doped GaAs multiple quantum wells of thickness 5–11 nm are reported for temperatures 5–300 K and excitation intensities 1–103 W/cm2. Comparison is made with similar investigations of bulk epitaxial GaAs layers. Increasing structural localisation of the carriers is identified to lead to a qualitative change of the type of recombination. Increasingly faster radiative excitonic recombination leads to a bypass of impurity and trap capture processes in undoped as well as in doped material, at low temperatures as well as at room temperature. Despite the exponential character of excitonic decay, the luminescence transients are found to be very complex due to an interplay of intersubband scattering and recombination processes and time-dependent carrier temperature. Transients are analysed in detail, excitonic lifetimes and intersubband scattering times are derived. It is argued that both the lifetime reduction in quantum wells and the novel process of recombination heating lead to a strongly increased quasiequilibrium temperature of excited carriers in the wells as compared to bulk material. Injection of carriers from 18 nm GaAlAs barriers to GaAs wells is found to occur in less than 10-12 s without loss. 相似文献