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91.
92.
93.
Arcadii Z. Grinshpan Anatolii Grinshpan 《Proceedings of the American Mathematical Society》2005,133(9):2605-2608
We discuss the de Branges weight systems and give a counterexample uncovering pitfalls.
94.
S. A. Solopan A. G. Belous O. I. V’yunov L. L. Kovalenko 《Russian Journal of Inorganic Chemistry》2008,53(2):157-163
Ba(Ti1?x Snx)O3 solid solutions were synthesized by the sol-gel process and solid-phase reactions, and their electrophysical properties studied. SnCl4 · 5H2O, TiCl4, and BaCO3 were precursors in the sol-gel process. IR spectroscopy, X-ray powder diffraction, and differential thermal analysis were used to study the formation conditions for BaTiO3, BaSnO3, and BaTi0.85Sn0.15O3. 相似文献
95.
Kushch ND Yagubskii EB Kartsovnik MV Buravov LI Dubrovskii AD Chekhlov AN Biberacher W 《Journal of the American Chemical Society》2008,130(23):7238-7240
Crystals of the bis(ethylenedithio)tetraselenafulvalene (BETS) radical cation salt with dicyanamidomanganate(II) anion, kappa-(BETS)2Mn[N(CN)2]3, were synthesized, which combine conducting and magnetic properties at ambient pressure and are superconducting (Tc approximately/= 5 K) at a moderate pressure of 0.3 kbar. 相似文献
96.
Vogt N Khaikin LS Grikina OE Rykov AN Vogt J 《The journal of physical chemistry. A》2008,112(33):7662-7670
Thymine is one of the nucleobases which forms the nucleic acid (NA) base pair with adenine in DNA. The study of molecular structure and dynamics of nucleobases can help to understand and explain some processes in biological systems and therefore it is of interest. Because the scattered intensities on the C, N, and O atoms as well as some bond lengths in thymine are close to each other the structural problem cannot been solved by the gas phase electron diffraction (GED) method alone. Therefore the rotational constants from microvawe (MW) studies and differences in the groups of N-C, C=O, N-H, and C-H bond lengths from MP2 (full)/cc-pVQZ calculations were used as supplementary data. The analysis of GED data was based on the C(s) molecular symmetry according to results of the structure optimizations at the MP2 (full) level using 6-311G (d,p), cc-pVTZ, and cc-pVQZ basis sets confirmed by vibrational frequency calculations with 6-311G (d,p) and cc-pVTZ basis sets. Mean-square amplitudes as well as harmonic and anharmonic vibrational corrections to the internuclear distances (r(e)-r(a)) and to the rotational constants (B(e)(k)-B(0)(k), where k = A, B, C) were calculated from the quadratic (MP2 (full)/cc-pVTZ) and cubic (MP2 (full)/6-311G (d,p)) force constants (the latter were used only for anharmonic corrections). The harmonic force field was scaled using published IR and Raman spectra of the parent and N1,N3-dideuterated species, which were for the first time completely assigned in the present work. The main equilibrium structural parameters of the thymine molecule determined from GED data supplemented by MW rotational constants and results of MP2 calculations are the following (bond lengths in Angstroms and bond angles in degrees with 3sigma in parentheses): r(e) (C5=C6) = 1.344 (16), r(e) (C5-C9) = 1.487 (8), r(e) (N1-C6) = 1.372 (3), r(e) (N1-C2) = 1.377 (3), r(e) (C2-N3) = 1.378 (3), r(e) (N3-C4) = 1.395 (3), r(e) (C2=O7) = 1.210 (1), r(e) (C4=O8) = 1.215 (1), angle e (N1-C6=C5) = 123.1 (5), angle e (C2-N1-C6) = 123.7 (5), angle e (N1-C2-N3) = 112.8 (5), angle e (C2-N3-C4) = 128.0 (5), angle e (N3-C4-C5) = 114.8 (5), angle e (C6=C5-C9) = 124.4 (9). The experimental structural parameters are in good agreement with those from MP2 (full) calculations with use of cc-pVTZ and cc-pVQZ basis sets. 相似文献
97.
Vishnevskiy YV Vogt N Vogt J Rykov AN Kuznetsov VV Makhova NN Vilkov LV 《The journal of physical chemistry. A》2008,112(23):5243-5250
The equilibrium molecular structure and conformation of 1,5-diazabicyclo[3.1.0]hexane (DABH) has been studied by the gas-phase electron-diffraction method at 20 degrees C and quantum-chemical calculations. Three possible conformations of DABH were considered: boat, chair, and twist. According to the experimental and theoretical results, DABH exists exclusively as a boat conformation of C s symmetry at the temperature of the experiment. The MP2 calculations predict the stable chair and twist conformations to be 3.8 and 49.5 kcal mol(-1) above the boat form, respectively. The most important semi-experimental geometrical parameters of DABH (r(e), A and angle)e), deg) are (N1-N5) = 1.506(13), (N1-C6) = 1.442(2), (N1-C2) = 1.469(4), (C2-C3) = 1.524(7), (C6-N1-C2) = 114.8(8), (N5-N1-C2) = 107.7(4), (N1-C2-C3) = 106.5(9), and (C2-C3-C4) = 104.0(10). The natural bond orbital (NBO) analysis has shown that the most important stabilization factor in the boat conformation is the n(N) --> sigma*(C-C) anomeric effect. The geometry calculations and NBO analysis have been performed also for the bicyclohexane molecule. 相似文献
98.
Dorofeeva OV Vogt N Vogt J Popik MV Rykov AN Vilkov LV 《The journal of physical chemistry. A》2007,111(28):6434-6442
The molecular structure of 1,3-dihydroxyacetone (DHA) has been studied by gas-phase electron diffraction (GED), combined analysis of GED and microwave (MW) data, ab initio, and density functional theory calculations. The equilibrium re structure of DHA was determined by a joint analysis of the GED data and rotational constants taken from the literature. The anharmonic vibrational corrections to the internuclear distances (re-ra) and to the rotational constants (B(i)e-B(i)0) needed for the estimation of the re structure were calculated from the B3LYP/cc-pVTZ cubic force field. It was found that the experimental data are well reproduced by assuming that DHA consists of a mixture of three conformers. The most stable conformer of C2v symmetry has two hydrogen bonds, whereas the next two lowest energy conformers (Cs and C1 symmetry) have one hydrogen bond and their abundance is about 30% in total. A combined analysis of GED and MW data led to the following equilibrium structural parameters (re) of the most abundant conformer of DHA (the uncertainties in parentheses are 3 times the standard deviations): r(C=O)=1.215(2) A, r(C-C)=1.516(2) A, r(C-O)=1.393(2) A, r(C-H)=1.096(4) A, r(O-H)=0.967(4) A, angleC-C=O=119.9(2) degrees, angleC-C-O=111.0(2) degrees, angleC-C-H=108.2(7) degrees, angleC-O-H=106.5(7) degrees. These structural parameters reproduce the experimental B(i)0 values within 0.05 MHz. The experimental structural parameters are in good agreement with those obtained from theoretical calculations. Ideal gas thermodynamic functions (S degrees (T), C degrees p(T), and H degrees (T)-H degrees (0)) of DHA were calculated on the basis of experimental and theoretical molecular parameters obtained in this work. The enthalpy of formation of DHA, -523+/-4 kJ/mol, was calculated by the atomization procedure using the G3X method. 相似文献
99.
J. -L. Loday introduced the notion of a dimonoid and constructed the free dimonoid. Cayley’s theorem for dimonoids states that every dimonoid is isomorphic to some transformation dimonoid. In this paper we propose another approach to constructing dimonoids which is based on using a semigroup operation. Several dimonoid-theoretical constructions are suggested, and it is shown that any dimonoid is isomorphically embedded into some dimonoid constructed from a semigroup. A similar result is obtained for dirings. 相似文献
100.
Mizuk R Abe K Adachi I Aihara H Anipko D Aulchenko V Aushev T Bakich AM Balagura V Barberio E Bay A Bedny I Belous K Bitenc U Bizjak I Blyth S Bondar A Bozek A Bracko M Brodzicka J Browder TE Chang MC Chen A Chen KF Chen WT Cheon BG Chistov R Choi Y Choi YK Cole S Dalseno J Danilov M Drutskoy A Eidelman S Epifanov D Fratina S Gabyshev N Garmash A Gershon T Gokhroo G Golob B Ha H Haba J Hayasaka K Hayashii H Hazumi M Heffernan D Hokuue T Hoshi Y Hou S Hou WS Iijima T Ikado K Imoto A Inami K 《Physical review letters》2007,98(26):262001
We report the results of several studies of the Lambda(c)(+)pi(+)pi(-)X final state in continuum e(+)e(-) annihilation data collected by the Belle detector. An analysis of angular distributions in Lambda(c)(2880)(+)-->Sigma(c)(2455)(0,++)pi(+,-) decays strongly favors a Lambda(c)(2880)(+) spin assignment of 5/2 over 3/2 or 1/2. We find evidence for Lambda(c)(2880)(+)-->Sigma(c)(2520)(0,++)pi(+,-) decay and measure the ratio of Lambda(c)(2880)(+) partial widths Gamma(Sigma(c)(2520)pi)/Gamma(Sigma(c)(2455)pi)=0.225+/-0.062+/-0.025. This value favors the Lambda(c)(2880)(+) spin-parity assignment of 5/2(+) over 5/2(-). We also report the first observation of Lambda(c)(2940)(+)-->Sigma(c)(2455)(0,++)pi(+,-) decay and measure Lambda(c)(2880)(+) and Lambda(c)(2940)(+) mass and width parameters. These studies are based on a 553 fb(-1) data sample collected at or near the Upsilon(4S) resonance at the KEKB collider. 相似文献