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61.
Accreditation and Quality Assurance - This paper describes the development of a certified reference material (CRM), produced in the National Institute of Quality from Peru (INACAL) in order to... 相似文献
62.
The aerobic epoxidation of terminal or electron deficient alkenes with an aldehyde does not proceed with cobalt(II) acetylacetonate but goes to completion with the cobalt(II) benzoylacetonate and cobalt(II) 1,1,1,5,5,5-hexafluoroacetylacetonate complexes. 相似文献
63.
正In the paper"A numerical investigation of the acoustic mode waves in a deviated borehole penetrating a transversely isotropic formation"by Liu et al.[1]numerical experiments are reported for a dipole sonic logging scenario with a deviated borehole penetrating a VTI anisotropic medium.In such a situation it is important to clearly define the meaning of group and phase velocities as this has led to much confusion in the literature as discussed by Miller,Horne and Walsh[2]. 相似文献
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65.
The interaction of the moieties of benzene, cyclobutadiene, cyclopentadinyl anion, and the cyclopentadianide cation upon each other and upon a CC bond connecting pairs of these rings is investigated computationally. The resulting non-fused bicycles include biphenyl, phenylcyclobutadiene, phenylcyclopentadienylium, phenylcyclopentadienide, pentafulvalene, cyclobutadienyl–cyclopentadienylium, cyclobutadienyl–cyclopentadienide, and bicyclobutadiene. The relative stability and aromaticity are assessed from hydrogenation energies, aromatic stabilization energies, ring separation energies, nucleus-independent chemical-shift, harmonic oscillator model of aromaticity, and natural bond orbital analysis. Calculations are performed with density functional theory (B3LYP) and Møller–Plesset perturbation theory of second order (MP2). Enthalpy quantities are also determined by G3. When both rings are aromatic in character, the bridging bond is mostly σ in character. When one or both of the rings is antiaromatic, the bridging bond has significant π character. Systems with contrasting aromaticities have CC bridging bonds of lengths between CC single bond lengths and CC double bond lengths and where the systems were charged, the charge is evenly distributed between the rings. 相似文献
66.
An investigation into the transmission spectrum of a ferroelectric liquid crystal device is undertaken. This is done both for an initial static state and during a switching process. Comparisons are made between experimental data and theoretical predictions. The dynamic internal director configurations in the device is shown to be consistent with a simple model during both monopolar and bipolar addressing pulses. 相似文献
67.
Dr. Freddi Philippart Marcus Arlt Steve Gotzen Dr. Stefanie‐Joana Tenne Dr. Marco Bocola Dr. Hsui‐Hui Chen Dr. Leilei Zhu Prof. Ulrich Schwaneberg Prof. Jun Okuda 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(41):13865-13871
A β‐barrel protein hybrid catalyst was prepared by covalently anchoring a Grubbs–Hoveyda type olefin metathesis catalyst at a single accessible cysteine amino acid in the barrel interior of a variant of β‐barrel transmembrane protein ferric hydroxamate uptake protein component A (FhuA). Activity of this hybrid catalyst type was demonstrated by ring‐opening metathesis polymerization of a 7‐oxanorbornene derivative in aqueous solution. 相似文献
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69.
The ability of B atoms on two different molecules to engage with one another in a noncovalent diboron bond is studied by ab initio calculations. Due to electron donation from its substituents, the trivalent B atom of BYZ2 (Z=CO, N2, and CNH; Y=H and F) has the ability to in turn donate charge to the B of a BX3 molecule (X=H, F, and CH3), thus forming a B⋅⋅⋅B diboron bond. These bonds are of two different strengths and character. BH(CO)2 and BH(CNH)2, and their fluorosubstituted analogues BF(CO)2 and BF(CNH)2, engage in a typical noncovalent bond with B(CH3)3 and BF3, with interaction energies in the 3–8 kcal/mol range. Certain other combinations result in a much stronger diboron bond, in the 26–44 kcal/mol range, and with a high degree of covalent character. Bonds of this type occur when BH3 is added to BH(CO)2, BH(CNH)2, BH(N2)2, and BF(CO)2, or in the complexes of BH(N2)2 with B(CH3)3 and BF3. The weaker noncovalent bonds are held together by roughly equal electrostatic and dispersion components, complemented by smaller polarization energy, while polarization is primarily responsible for the stronger ones. 相似文献
70.
Over the last years, scientific interest in noncovalent interactions based on the presence of electron-depleted regions called σ-holes or π-holes has markedly accelerated. Their high directionality and strength, comparable to hydrogen bonds, has been documented in many fields of modern chemistry. The current review gathers and digests recent results concerning these bonds, with a focus on those systems where both σ and π-holes are present on the same molecule. The underlying principles guiding the bonding in both sorts of interactions are discussed, and the trends that emerge from recent work offer a guide as to how one might design systems that allow multiple noncovalent bonds to occur simultaneously, or that prefer one bond type over another. 相似文献