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171.
D. B. Kayumova Yu. P. Syrnikov N. V. Penkina M. N. Rodnikova 《Russian Journal of Physical Chemistry A, Focus on Chemistry》2006,80(10):1634-1635
The structural relaxation time for series of various liquids (alkanes, aliphatic alcohols, and diols) are calculated from published data on the shear viscosity and the heat of evaporation per unit volume. Liquids having a 3D H-bond network (diols) are characterized by relaxation times one to two orders of magnitudes longer than those typical of liquids without such a network (alkanes and aliphatic alcohols). 相似文献
172.
Henry P. McKean 《纯数学与应用数学通讯》2003,56(5):638-680
173.
The method of nonlinear moments, when used to solve the Boltzmann equation, necessitates the calculation of collision integral
matrix elements. The matrix elements are hard to calculate numerically, especially at large indices. The asymptotics of the
matrix elements are constructed. In terms of the model of pseudopower particle interaction, a formula free of summation is
derived. This makes it possible to find the asymptotic behavior of linear and nonlinear elements when two indices are large.
For an arbitrary interaction cross section, asymptotic expansions of linear and nonlinear matrix elements in one index are
obtained. For Maxwellian molecules, asymptotic formulas are derived for three large indices. 相似文献
174.
The fine-structure parameters of a series of configurations of the first ion of indium and the gyromagnetic ratios in intermediate coupling are calculated by a semiempirical method in the single-configuration approximation. 相似文献
175.
176.
We derive a test problem for evaluating the ability of time-steppingmethods to preserve the statistical properties of systems inmolecular dynamics. We consider a family of deterministic systemsconsisting of a finite number of particles interacting on acompact interval. The particles are given random initial conditionsand interact through instantaneous energy- and momentum-conservingcollisions. As the number of particles, the particle density,and the mean particle speed go to infinity, the trajectory ofa tracer particle is shown to converge to a stationary Gaussianstochastic process. We approximate this system by one describedby a system of ordinary differential equations and provide numericalevidence that it converges to the same stochastic process. Wesimulate the latter system with a variety of numerical integrators,including the symplectic Euler method, a fourth-order Runge-Kuttamethod, and an energyconserving step-and-project method. Weassess the methods' ability to recapture the system's limitingstatistics and observe that symplectic Euler performs significantlybetter than the others for comparable computational expense. 相似文献
177.
The ultraviolet band systemsA
1Π-X
1Σ+ of P14N and P15N were excited in an electrodeless tube containing traces of phosphorus specpure nitrogen and neon using a microwave discharge
(2450 MHz). Bands of the isotopic species, P15N, were obtained using15N2 enriched to 95.5%. Rotational analyses of eleven bands of P14N and sixteen bands of P15N were carried out. Three perturbing statese
3Σ−,d
3Δ andb
3Π, arising from the lower valence configurations were identified from the observed perturbations in thev′=0–4 levels of theA
1Π state. Deperturbation studies led to the determination of molecular constants of the perturbing states. Vibrational assignments
of the perturbing states were made from isotope shift studies. 相似文献
178.
We develop a theory of the magnetic-zenith effect (MZE) observed upon the ionosphere modification by powerful radio waves.
The dependences of MZE on main parameters, such as the magnetic-field inclination angle, pump-wave frequency and power, and
angular width of HF beam are obtained. The optimal elevation angle of pump-wave beam is predicted.
__________
Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Radiofizika, Vol. 48, No. 9, pp. 772–787, September 2005. 相似文献
179.
M. V. Veselovskaya S. V. Shilin M. M. Garazd V. P. Khilya 《Chemistry of Natural Compounds》2003,39(2):177-181
Furocoumarins modified by amino acids were prepared by condensation of the N-hydroxysuccinimide ester of 3-(2,3,5-trimethyl-7-oxofuro[3,2-g]chromen-6-yl)propanoic acid with amino acids. 相似文献
180.
B. Saha S. Bhattacharyya T. K. Mukherjee P. K. Mukherjee 《International journal of quantum chemistry》2003,92(5):413-418
In the framework of nonrelativistic variational formalism a new type of basis set is proposed, to estimate separately the effect of radial and angular correlations on the ground‐state energy for helium isoelectronic sequence H? to Ar16+. Effect of radial correlation is incorporated by using multiexponential functions arising from product basis sets suitably formed out of Slater‐type one‐particle orbitals. The angular correlation can be switched on by incorporating an expansion in terms of basis involving interparticle coordinates. With a set of six‐term Slater‐type one‐particle basis and five‐term interparticle expansion, the ground‐state energy of helium is estimated as ?2.9037236 (a.u.) compared with the multiterm variational estimates ?2.9037244 (a.u.) due to Pekeris and Thakkar and Smith and Drake. Matrix elements of different operators in the ground state have been calculated and found to be in good agreement with available accurate results. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem, 2003 相似文献