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11.
L. Käubler W. Enghardt H. Prade P. Carlé L. O. Norlin K. -G. Rensfelt U. Rosengård 《Zeitschrift für Physik A Hadrons and Nuclei》1988,329(2):143-150
Using the reaction138Ba(α,2n)140Ce the magnetic moment of the 10 1 + isomer atE x =3714.7 keV in theN=82 nucleus140Ce has been determined by means of the TDPAD method toμ=+10.3(4)μ N . Measuredg-factors in140Ce are compared to calculations within the shell model with configuration mixing. For the 10 1 + isomer in140Ce the four proton configuration π(1g 7 2/2 ,2d 5 2/2 ) has been found to be dominant. From theg-factor measurement strong contributions of multiparticle excitations to thegp2d 3/2,π3s 1 2 or π1h 11 2 shells and admixtures of neutron excitations to the wave function of the 10 1 + state could be excluded. The strongE1γ-branch of the deexcitation of the 10 1 + isomer in140Ce can be explained by means of small admixtures of configurations which contain the outer subshell excitationsπ2f 7/2 andπ1h 9/2. On this basisE1 transitions experimentally observed in theN=82 nuclei140Ce,141Pr and145Eu may be understood. 相似文献
12.
We have developed bond additivity correction (BAC) procedures for the G3-based quantum chemistry methods, G3B3 and G3MP2B3. We denote these procedures as BAC-G3B3 and BAC-G3MP2B3. We apply the procedures to compounds containing atoms from the first three rows of the periodic table including H, B, C, N, O, F, Al, Si, P, S, and Cl atoms. The BAC procedure applies atomic, molecular, and pairwise bond corrections to theoretical heats of formation of molecules. The BAC-G3B3 and BAC-G3MP2B3 procedures require parameters for each atom type but not for each bond type. These parameters have been obtained by minimizing the error between the BAC-G3B3 and BAC-G3MP2B3 predictions and the experimental heats of formation for a 155 molecule reference set, containing open and closed shell molecules representing various functional groups, multireference configurations, isomers, and degrees of saturation. As compared to former BAC-MP4, BAC-G2, and BAC-hybrid methods, BAC-G3B3 provides better agreement with experiment for a wider range of chemical moieties, including highly oxidized species involving SOx s, NOx s, POx s, and halogens. The BAC-G3B3 and BAC-G3MP2B3 procedures are applied to an extended test suite involving 273 compounds. We assess the overall quality of BAC-G3B3 with experiments and other theoretical approaches. For the reference set, the average error for the BAC-G3B3 results is 0.44 kcal/mol as compared to 0.82 kcal/mol for the raw G3B3. For the extended test set, the average error for the BAC-G3B3 results is 0.91 kcal/mol as compared to 1.38 kcal/mol for the raw G3B3. As compared to the other BAC procedures, the improved predictive capability of BAC-G3B3 and BAC-G3MP2B3 procedures is, to a large extent, due to the improved quality of G3-based methods resulting in much smaller BAC correction terms. 相似文献
13.
Carl H. Brans 《General Relativity and Gravitation》1987,19(9):949-952
It is pointed out that the field equations in one of Barber's two self-creation cosmologies are not only in disagreement with experiment, but are actually inconsistent, in general. The construction of consistent general relativistic field equations involving field variables, such as, without invoking Lagrangian techniques, requires careful checking that sufficient functional freedom has been provided so as to produce a consistent set of equations. 相似文献
14.
15.
A series of symmetrically and asymmetrically substituted s-triazines was synthesized by condensation of fluorocarbon nitriles (Scheme II, compounds 1a-c ) and by cyclodehydration of a fluorocarbon imidoylamidine utilizing a fluorocarbon anhydride (Scheme III, compounds 2a-e ). Among the new nitriles prepared for incorporation in these reaction paths were 11-H-4,9-dioxahexadecylfluoroundecanenitrile ( 3 ) and 6-chloro-6-H-4-oxaheptafluorohexanenitrile ( 4 ), prepared by Scheme 1. 相似文献
16.
Paul Binger Michael J Doyle John McMeeking Carl Krüger Yi-Hung Tsay 《Journal of organometallic chemistry》1977,135(3):405-414
Oxidative addition of 2 molecules of 3,3-dimethylcyclopropene (I) to α,α′-bipyridyl(1,5-cyclooctadiene)nickel(0) (III) gave the title compound (IV) in over 90% yield. Complex IV was characterized by mass, 1H NMR and 13C NMR spectroscopy. Its structure was determined by X-ray diffraction (a 13.7081(2), b 14.638(2), c 9.5139(1) Å, β 110.82(1)°, C2/c, R = 0.05 for 1614 reflections). 相似文献
17.
Reaction of (η-C5H4CH3)2TiCl2 with CH3OCH2MgCl yielded (η-C5H4-CH3)2Ti(Cl)CH2OCH3 (2a). Complex 2a crystallizes in space group P21/n with cell constants a 8.162(1), b 11.004(2), c 15.297(2) Å, β 96.40(1)°. In contrast to the three-membered metallacyclic zirconium compound of analogous composition (η-C5H5)2Zr(Cl)CH2OCH3 (1), the titanocenyl-substituted ether 2a has an open-chain (η1-O“-outside”) type structure. 相似文献
18.
The low-temperature circular dichroism behavior of various cyclic and alicyclic systems containing the methyl xanthato-, N,N-diethyl-N′-acylthioureyl-, N-phthalimido-, nitrito- and dithio-carbalkoxy- chromophores is discussed. Rotational strength (R0T) values are reported where possible and changes in this parameter upon variation of the temperature are interpreted, where relevant, in terms of the degree of steric inhibition to free rotation about the various bonds connected to the asymmetric center bearing (or nearest to) the chromophore moiety. 相似文献
19.
Neomethymycin (I) has been transformed into “anhydrocycloneomethynolide” (V) which could be degraded via (−)--methyllevulinic acid to (−)--methylsuccinic acid, thus establishing the absolute configuration of positions 4 and 6 in the lactonic acid (XIII). This acid is a common degradation product of methymycin, neomethymycin, pikromycin and narbomycin and there is thus available a standard of absolute configuration for these macrolide antibiotics. By a different sequence of reactions, erythromycin (XXIII) has been converted into (+)--methyllevulinic acid and (+)--methylsuccinic acid. Coupled with earlier results reported in the literature, it is now possible to assign absolute configurations to positions 10 (R) and 8 (R) of erythromycin and this applies most likely also to positions 4 (R) and 2 (S). Attention is called to the biogenetic significance of these observations. 相似文献
20.
Reaction of HMo(CO)3C5H5 and Sn(C5H5)2 produces the tin hydride HSn[Mo(CO)3C5H5]3 (I). Reaction of I with CCl4, CHCl3, or CH2Cl2 gives ClSn[Mo(CO)3C5H5]3 (II). With hydrogen chloride the hydride I reacts to produce the dichloride Cl2Sn[Mo(CO)3C5H5]2. The first step in this reaction is cleavage of the SnH bond to produce the chloride II. The hydride I reacts with acetic acid to produce the diacetate (CH3COO)2Sn[Mo(CO)3C5H5]2. 相似文献