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31.
Walter B. England 《International journal of quantum chemistry》1983,23(3):905-914
Hartree–Bogoliubov–Valatin (HBV ) theory may be implemented with Lipkin Hamiltonians to obtain self-consistent BCS wave functions which describe bond formation and dissociation. These wave functions are in turn vacuua for Nambu's representation of Feynman–Dyson–Goldstone diagrammatic perturbation theory, and hence provide suitable references for the many-body treatment of correlation. Exact SCF solutions of the HBV equations are equivalent to special even-replacement MC –SCF solutions. The latter are similar to generalized valence bond theory, and require one Fock operator for each one-particle shell. The commutative coupling case of HBV theory is realized when the number-conserving renormalized one-body and number-nonconserving pairing operators commute. In this case, a set of orbital equations which involves a single Fock operator may be solved. Since this could prove to be a significant simplification for large systems, the commutative coupling and exact solutions are compared here for the fragmentation of H2 and F2. Results suggest that commutative coupling orbitals will be useful for the aforementioned many-body theory. 相似文献
32.
Indole-substituted N-propargylamides undergo a gold(III)-catalyzed cyclization to give oxazoles or β-carbolinones, depending on the substitution pattern at the amide nitrogen. Secondary amides furnished oxazoles via a 5-exo-dig cyclization, while tertiary indole-2-carboxamides cycloisomerized to give 2,9-dihydro-β-carbolin-1-ones upon treatment with catalytic amounts of gold(III) chloride. An optimized procedure was developed to prepare several new N-benzyl-β-carbolinones as well as the corresponding β-carbolines, which are of interest as core structures found in various natural products such as the harman, ervolanine, and lavendamycin class of alkaloids. 相似文献
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34.
K. E. R. England C. M. B. Henderson J. Charnock D. J. Vaughan 《Hyperfine Interactions》1994,91(1):709-714
Synthetic iron-containing leucite-type phases have been studied using57Fe Mössbauer spectroscopy in combination with X-ray absorption spectroscopy (XAFS and XANES). The Mössbauer and XAS data confirm that both Fe2+ and Fe3+ occupy tetrahedrally coordinated framework sites in the synthetic phases. In addition, information on Fe2+/Fe3+ ratios, cation site occupancies and first shell bond lengths has also been obtained. 相似文献
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37.
A.H. Cooke N.J. England N.F. Preston S.J. Swithenby M.R. Wells 《Solid State Communications》1976,18(4):545-547
An analysis of Magneto-Electric Susceptibility, Magnetic Susceptibility and X-ray results has shown that the direction of sub lattice alinement in the antiferromagnetically ordered state of GdAlO3 corresponds to the orthorhombic a-axis. This result is contrary to the previous analysis which favoured the b-axis. 相似文献
38.
Chambers JJ Gouda H Young DM Kuntz ID England PM 《Journal of the American Chemical Society》2004,126(43):13886-13887
AMPA (alpha-amino-3-hydroxy-5-methyl-4-isooxazole) receptors, a major subtype of ionotropic glutamate receptors (iGluRs), mediate the majority of the fast communication between neurons, and the activity-dependent trafficking of AMPA receptors at synapses plays a role in mammalian learning and memory. Here we describe the design, synthesis, and evaluation of a photoreactive AMPA receptor antagonist that provides a means of "knocking out" AMPA receptors present on the surface of cells. The antagonist, 6-azido-7-nitro-1,4-dihydroquinoxaline-2,3-dione (ANQX), was designed by introducing a photoreactive azido group onto a quinoxalinedione inhibitor scaffold. Computational docking of ANQX to the AMPA receptor ligand-binding core predicted efficient binding to AMPA receptors. Glutamate-evoked currents were reversibly blocked at micromolar ANQX concentrations prior to photolysis and irreversibly blocked following photolysis. ANQX provides a means of directly evaluating the trafficking of native AMPA receptors with unparalleled spatiotemporal resolution. 相似文献
39.
England J Guo Y Van Heuvelen KM Cranswick MA Rohde GT Bominaar EL Münck E Que L 《Journal of the American Chemical Society》2011,133(31):11880-11883
The trigonal-bipyramidal high-spin (S = 2) oxoiron(IV) complex [Fe(IV)(O)(TMG(2)dien)(CH(3)CN)](2+) (7) was synthesized and spectroscopically characterized. Substitution of the CH(3)CN ligand by anions, demonstrated here for X = N(3)(-) and Cl(-), yielded additional S = 2 oxoiron(IV) complexes of general formulation [Fe(IV)(O)(TMG(2)dien)(X)](+) (7-X). The reduced steric bulk of 7 relative to the published S = 2 complex [Fe(IV)(O)(TMG(3)tren)](2+) (2) was reflected by enhanced rates of intermolecular substrate oxidation. 相似文献
40.
Benny Febriansyah Tetiana Borzda Daniele Cortecchia Stefanie Neutzner Giulia Folpini Teck Ming Koh Yongxin Li Nripan Mathews Annamaria Petrozza Jason England 《Angewandte Chemie (International ed. in English)》2020,59(27):10791-10796
Published studies of layered (2D) (100)‐oriented hybrid lead‐bromide perovskites evidence a correlation between increased inter‐octahedral (Pb‐Br‐Pb) distortions and the appearance of broadband white light emission. However, the impact of distortions within their constituent [PbBr6]4? octahedra has yet to be assessed. Herein, we report two new (100)‐oriented 2D Pb‐Br perovskites, whose structures display unusually high intra‐octahedral distortions, whilst retaining minimal inter‐octahedral distortions. Using a combination of temperature‐dependent, power‐dependent and time‐resolved photoluminescence spectroscopic measurements, we show that increased intra‐octahedral distortion induces exciton localization processes and leads to formation of multiple photoinduced emissive colour centres. Ultimately, this leads to highly Stokes‐shifted, ultrabroad white light emission at room temperature. 相似文献