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排序方式: 共有235条查询结果,搜索用时 31 毫秒
51.
52.
Vilkov E. A. Chigarev S. G. Malikov I. V. Fomin L. A. 《Physics of the Solid State》2021,63(10):1574-1578
Physics of the Solid State - The terahertz radiation in the Fe/Mo magnetic transition, which occurs when pumping the upper spin subzone in the Fe/Mo interface with a high-density current, has been... 相似文献
53.
54.
D. Yu. Usachov A. V. Fedorov O. Yu. Vilkov A. V. Erofeevskaya A. S. Vopilov V. K. Adamchuk D. V. Vyalikh 《Physics of the Solid State》2015,57(5):1040-1047
The intercalation of silicon under graphene on the Co(0001) surface, which is accompanied by the formation of a silicon solid solution in cobalt and by the formation of a surface crystalline Co2Si phase, has been investigated using photoelectron spectroscopy. It has been shown that the formation of cobalt silicide leads to a substantial weakening of the hybridization of electronic states of graphene and cobalt and to the recovery of the Dirac spectrum of electronic states of graphene near the Fermi level. This has made it possible to investigate the electron doping of graphene on the cobalt silicide substrate upon deposition of lithium on its surface. It has been found that doping with lithium leads to a significant charge transfer onto graphene, and the electron concentration reaches 3.1 × 1014 cm?2. Moreover, the specific form of the Fermi surface creates favorable conditions for the enhancement of the electron-phonon coupling. As a result, the formed system can be considered as a candidate for the creation of superconductivity in single-layer graphene. 相似文献
55.
V. R. Galakhov V. V. Mesilov S. N. Shamin B. A. Gizhevskii N. A. Skorikov S. V. Naumov O. Yu. Vilkov 《Applied Physics A: Materials Science & Processing》2015,118(2):649-654
Soft X-ray absorption (XAS) and emission (XES) spectroscopies were applied to determine valence states of manganese ions in nanostructured powder of half-doped \(\hbox {La}_{0.5}\hbox {Ca}_{0.5}\hbox {MnO}_{3}\) manganite obtained by milling in a ball mill. XAS spectra were measured both in surface-sensitivity total electron-yield and in bulk-sensitivity total fluorescence-yield modes. O K\(_{\upalpha }\) XES and O 1s XAS spectra characterized the occupied and unoccupied partial O 2p densities of states are compared with band-structure calculations made using the TB-LMTO-ASA codes. Experimental Mn 2p, Ca 2p, and La 3\(d\) XAS spectra are compared with results of crystal field atomic multiplet calculations. For the nanostructured system of \(\hbox {La}_{0.5}\hbox {Ca}_{0.5}\hbox {MnO}_{3}\), concentrations of Mn\(^{4+}\) ions are found to be increased with increasing the time of milling. 相似文献
56.
Yuri V. Vishnevskiy Natalja Vogt Vitaliy I. Korepanov Arkadii A. Ivanov Lev V. Vilkov Vladimir V. Kuznetsov Nina N. Mahova 《Structural chemistry》2009,20(3):435-442
The molecular structure of N-chlorosuccinimide has been studied by GED method at the nozzle temperature of 116 °C. Vibrational corrections to the r
a parameters, Δ(r
a − r
e), have been calculated using the scaled quadratic and cubic force constants from B3LYP/6-31G(df,p) calculations. The force
field scaling has been carried out using the IR and Raman spectra of the solid N-chlorosuccinimide. The molecular skeleton and the bond conformation around nitrogen were found to be planar within large experimental
errors. The equilibrium geometrical parameters derived from the experimental data assuming C
2v
molecular symmetry and those from MP2(fc)/6-311G(3df,2pd) calculations are in a good agreement. 相似文献
57.
M. V. Popik V. P. Novikov L. V. Vilkov S. Samdal 《Journal of Structural Chemistry》1995,36(5):784-792
The geometrical parameters of the o-chloroanisole molecule were determined by gas phase electron diffraction in terms of the dynamic model using vibrational spectroscopy data and quantum chemical calculations. A new approach based on Tikhonov's regularization method is used to explicitly define the internal rotation potential of the methoxy group. It was found that the nonparametric internal rotation potential has two minima, one of which corresponds to the planar (?=0°) and another to orthogonal (?=90°) orientation of the O?CH3 bond relative to the plane of the benzene ring. The difference between the energies of the orthogonal and planar conformers is 0.9–1.0 kcal/mole, and the height of rotation barriers at ??65° is 1.4–1.6 kcal/mole, which confirms the results of quantum chemical calculations, indicating that the orthogonal conformer is present in substantial amounts (~30%). The following basic geometrical parameters were found (ra in Å, ∠α in deg, the error equals 3σ): r(C?C)ave=1.398(4); r(O?CPh)=1.358(36); r(O?CMe)=1.426(21);r(C?Cl)=1.733(4);r(C?H)Ph=1.086(6);r(C?H)Me=1.095(6); ∠CCOCCl=118.7(2.2); ∠COCC=119.9(2.5); ∠COCClC=121.5(1.1); ∠COC=117.6(2.6); ∠COCCl=119.1(2.1); ∠CCO=124.7(1.2). The results are compared with the data for related compounds. Stereochemical features of o-anisoles that are responsible for the orthogonal conformer are discussed. 相似文献
58.
Atavin E. G. Golubinskii A. V. Popik M. V. Khristenko L. V. Gloriozov I. P. Salgalov A. A. Ustynyuk Yu. A. Vilkov L. V. 《Russian Chemical Bulletin》2003,52(5):1106-1110
The molecular structure of 6-(N,N-dimethylamino)fulvene was studied by gas-phase electron diffraction and quantum-chemical methods (HF/6-31G(d), MP2/3Z, MP2/4Z, density functional theory with the B3LYP/6-31G(d) and PBE/3Z functionals). Pronounced flattening of the nitrogen atom and equalization of the intracyclic C—C bonds were found to be a consequence of the electron delocalization in the molecule. 相似文献
59.
Yu. V. Vishnevskii L. V. Vilkov A. N. Rykov N. M. Karasev Yu. N. Bubnov M. E. Gurskii 《Russian Chemical Bulletin》2005,54(1):99-102
The main structural parameters of the triallylborane molecule having the C
3 symmetry were determined by gas electron diffraction and quantum-chemical calculations at the MP2/6-31G(d,p) and B3LYP/6-31G(d,p) levels. The parameters calculated by the MP2/6-31G(d,p) method are in better agreement with the experimental data than those calculated by the B3LYP/6-31G(d,p) method.__________Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 1, pp. 98–101, January, 2005. 相似文献
60.
Vilkov AN Bogdanov B Pasa-Tolić L Prior DC Anderson GA Masselon CD Moore RJ Smith RD 《Rapid communications in mass spectrometry : RCM》2004,18(22):2682-2690
A new collision-induced dissociation (CID) technique based on broadband tailored noise waveform (TNW) excitation of ions stored in a linear ion trap has been developed. In comparison with the conventional sustained off-resonance irradiation (SORI) CID method commonly used in Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS), this MS/MS technique increases throughput by eliminating the long pump-down delay associated with gas introduction into the high vacuum ICR cell region. In addition, the TNW-CID method speeds spectrum acquisition since it does not require Fourier transformation, calculation of resonant frequencies and generation of the excitation waveforms. We demonstrate TNW-CID coupled with on-line capillary reverse-phase liquid chromatography separations for the identification of peptides. The experimental results are compared with data obtained using conventional quadrupole ion trap MS/MS and SORI-CID MS/MS in an ICR cell. 相似文献