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1.
We characterize Poisson and Jacobi structures by means of complete lifts of the corresponding tensors: the lifts have to be
related to canonical structures by morphisms of corresponding vector bundles. Similar results hold for generalized Poisson
and Jacobi structures (canonical structures) associated with Lie algebroids and Jacobi algebroids. 相似文献
2.
The optical properties—reflectivity, real part of the refractive index, absorption coefficient as well as the thermal and electrical conductivity of AlSi-alloy/SiCp composite were measured. The optical parameters and both conductivities decreased with the increase of SiCp particles volume in AlSi-alloy matrix. This decrease was almost linear for the volume fraction of SiCp particle up to 10 vol% of the total mass of the composite. For the 15 vol% of SiCp particles, the departure from linearity is connected with the presence of additional phases in AlSi-alloy/SiCp composite materials. The measured temperature dependencies of optical reflectivity and electrical conductivity for AlSi-alloy/SiCp 15 vol% are of metallic character. Modelling of the interaction of the CO2 laser radiation with AlSi-alloy/SiCp 15 vol% composite should allow to estimate the initiation time at which the surface composite reaches melting temperature. 相似文献
3.
4.
Cl···O intramolecular contacts are analysed here. Hence the Cambridge Structural Database (CSD) search was performed to find
five-membered Cl–C=C–C=O pseudo-rings closed through Cl···O intramolecular contacts. Such rings were analysed and it was found
that some of Cl···O distances are smaller than the corresponding sum of van der Waals radii. Additionally ab initio MP2/6-311++G(d,p)
calculations and AIM analyses were carried out here on 3-chloropropenal and its fluoro derivatives to deepen the nature of
intramolecular Cl···O interactions, some of findings may indicate that they are attractive and stabilizing ones.
This paper is dedicated to Prof. T. M. Krygowski on the occasion of his 70th birthday 相似文献
5.
IR spectra of propylene and acrolein adsorbed at different temperatures on CoMoO4 supported on MgO were recorded. Four different surface species were found: a -complex, an oxygen bonded carbonyl complex, acrylic acid and a carboxylate type complex. The mechanism of their transoformation is discussed.
- CoMoO4 MgO. , 4 : -, , , . .相似文献
6.
Simple complexes connected through C-H...S and C-H...N interactions are investigated: CH4...NH3, C2H4...NH3, C2H2...NH3, CH4...SH2, C2H4...SH2, and C2H2...SH2. Ab initio and DFT calculations are performed (SCF, MP2, B3LYP) using different basis sets up to the MP2/aug-cc-pVQZ//MP2/aug-cc-pVDZ level of approximation. The Bader theory is applied since MP2/6-311++G(d,p) wave functions are used to find and to characterize bond critical points in terms of electron densities and their Laplacians. The influence of hybridization on the properties of C-H...S and C-H...N systems is also studied showing that the strength of such interactions increases in the following order: C(sp3)-H...Y, C(sp2)-H...Y, C(sp)-H...Y, where Y = S, N--it is in line with the previous findings on C-H...O hydrogen bonds. The results also show that CH4...SH2 and C2H4...SH2 complexes should be rather classified as van der Waals interactions and not as hydrogen bonds. The frequency associated with the C-H stretch of C(sp3)-H...S is blue-shifted. 相似文献
7.
Cvetovich RJ Chartrain M Hartner FW Roberge C Amato JS Grabowski EJ 《The Journal of organic chemistry》1996,61(19):6575-6580
A convergent synthesis of [S-(R,S)]-2-[4-[(4-methylpiperazin-1-yl)carbonyl]phenoxy]-3,3-diethyl-N-[1-[3,4-(methylenedioxy)phenyl]butyl]-4-oxo-1-azetidinecarboxamide (L-694,458, 1), a potent human leukocyte elastase inhibitor, was achieved via chiral synthesis of key intermediates: (S)-3,3-diethyl-4-[4'-[(N-methylpiperazin-1-yl)carbonylphenoxy]-2-azetidinone (2) and (R)-alpha-propylpiperonyl isocyanate (3). Synthesis of beta-lactam 2 was achieved by a novel enantioselective lipase hydrolysis of ester 5 to produce (S)-3,3-diethyl-4-(4'-carboxyphenoxy)-2-azetidinone (6) (60% yield, three cycles, 93% ee) with isolation, epimerization, and recycling of the undesired (R)-ester 5. Isocyanate 3 was prepared by chiral addition of Zn(n-Pr)(2) to piperonal (98% yield, 99.2% ee), azide displacement and reduction to (R)-alpha-propylpiperonylamine (11) (58% yield, 85% ee), crystallization as the D-pyroglutamic acid salt (92% yield, 98.2% ee), and isocyanate formation (98% yield) with phosgene. 相似文献
8.
A one-pot synthesis of substituted imidazoles is described. The cornerstone of this methodology involves the thiazolium-catalyzed addition of an aldehyde to an acyl imine to generate the corresponding alpha-ketoamide in situ followed by ring closure to the imidazole in a one-pot sequence. The extension of this methodology to the one-pot synthesis of substituted oxazoles and thiazoles is also described. [reaction: see text] 相似文献
9.
Sławomir J. Grabowski 《Monatshefte für Chemie / Chemical Monthly》2002,133(11):1373-1380
Summary. The topological parameters derived from the Bader theory such as the electron density and its Laplacian at the ring critical point (RCP) are analysed here as possible measures of the H-bond stength for intramolecular H-bonds.
The parameters of RCP correlate well with the other properties of intramolecular H-bonds which are known as good measures
of the H-bond strength. The calculations were performed on two samples of compounds with intramolecular H-bonds: the derivatives
of malonaldehyde and the derivatives of o-hydroxybenzaldehyde. MP2 and HF calculations were carried out using a 6-311++G** basis set.
E-mail: slagra@krysia.uni.lodz.pl
Received February 18, 2002; accepted (revised) May 27, 2002 相似文献
10.