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81.
John CJ Amalanathan M Sajan D Lakshmi KU Joe IH 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2011,78(1):264-272
FT-Raman and FT-IR spectra of the nonlinear optical crystal 1-(4-N,N-dimethylaminopyridinium) acetic acid bromide monohydrate have been recorded and analyzed. The equilibrium geometry, vibrational wavenumbers and the first order hyperpolarizability of the crystal have been calculated with the help of density functional theory computations. The assignments of the vibrational spectra have been carried out with the help of Scaled Quantum Mechanic force field theory. Optimized geometry gives the charge transfer interaction of the pyridine ring and the amino group in the electron-donor side of the nonlinear optic chromophore. Electron–phonon coupling and O–H?O interactions in making the molecule nonlinear optical active have been analyzed based on the vibrational spectral features. The Natural Bond Orbital analysis confirms the occurrence of strong intermolecular O–H?O hydrogen bonding. 相似文献
82.
83.
Ramanjaneyulu GS Darshan DV Mahendar K Kantam ML Prabhakar S 《European journal of mass spectrometry (Chichester, England)》2011,17(3):265-275
A set of diastereomeric α-sulfanyl-β-amino acid derivatives, which are important building blocks for pharmaceuticals with potent biological activity, are studied by electrospray ionization tandem mass spectrometry. The collision induced dissociation (CID) spectra of [M+H](+), [M+NH(4)](+), [M+Na](+) and [M+Li](+) of the diastereomers were studied, among them the CID of [M+Na](+) and [M+Li](+) showed consistent differences in the relative abundance of characteristic ions that enabled distinction of the anti isomers from syn isomers. The decomposition pathways for the diagnostic ions were arrived at based on high-resolution mass spectrometry data, multiple mass spectrometry data, deuterium labeling experiments and the mass shift in accordance with the substituents located at different places. Loss of (R(1)-C(6)H(4)-CH=NH) and (Cat-NH-SO(2)R(2)) from [M+Cat](+), where Cat=Na and Li, and the product ions as a results of McLafferty rearrangement involving either >S=O or >C=O group were found to be diagnostic. The McLafferty rearrangement product ions involving >S=O group were more abundant in syn isomers while those involving >C=O group were more abundant in anti isomer. The selectivity observed in the decomposition of [M+Li](+) ions was found to be similar to that of [M+Na](+) ions, but in few cases the differences are marginal in the decomposition [M+Li](+) ions. 相似文献
84.
M. Lakshmi Kantam Kalluri V.S. Ranganath Lakkoju Chakrapani 《Tetrahedron letters》2007,48(43):7646-7649
Highly enantioselective Michael addition of malonates to cyclic and acyclic enones has been achieved by using nanocrystalline magnesium oxide at −20 °C. 相似文献
85.
86.
L. Seetha Lakshmi V Sridharan DV Natarajan V Sankara Sastry T S Radhakrishnan 《Pramana》2002,58(5-6):1019-1026
Mn site is substituted with closed shell ions (Al, Ga, Ti, Zr and a certain combination of Zr and Al) and also with Fe and
Ru ions carrying the magnetic moment (S=5/2 and 2 respectively) at a fixed concentration of 5 at %. Substitution did not change either the crystal symmetry or the
oxygen stoichiometry. All substituents were found to suppress both the metal-insulator and ferromagnetic transition temperatures
(T
p(ρ) and T
C, respectively) to varied extents. Two main contributions identified for the suppression are the lattice disorder arising
due to difference in the ionic radii between the substituent (r
M) and the Mn3+ ion (r
Mn
3+) and in the case of the substituents carrying a magnetic moment, the type of magnetic coupling between the substituent and
that of the neighboring Mn ion. 相似文献
87.
The first total synthesis of a bioactive metabolite, isolated from the fungi Acremonium sp. HKI 0230, containing a cyclopentaspirobenzofuran carbon framework, employing an Ireland ester Claisen rearrangement and RCM reaction based strategy has been accomplished. 相似文献
88.
89.
T. V. Lakshmi Narayan C. S. Marvel 《Journal of polymer science. Part A, Polymer chemistry》1967,5(5):1113-1118
Four new polybenzimidazoles with aryl sulfone linkages between the recurring units have been prepared in order to study their thermal stability and solubility properties. The polymers prepared were high molecular weight materials with good thermal stability. 相似文献
90.
We present results of lattice dynamical calculations for a eleven layer CaF2 slab with (110) free surfaces. From a comparison with earlier results for NaCl and CsCI structured slabs, we find that new surface modes appear both in the optical and acoustical range of frequencies. The additional modes occur due to the presence of the Raman active band. Results pertaining to the contribution of the surface vibrational modes to the thermodynamic properties are presented. 相似文献