全文获取类型
收费全文 | 6844篇 |
免费 | 551篇 |
国内免费 | 253篇 |
专业分类
化学 | 1221篇 |
晶体学 | 53篇 |
力学 | 230篇 |
综合类 | 40篇 |
数学 | 3165篇 |
物理学 | 2939篇 |
出版年
2023年 | 45篇 |
2022年 | 89篇 |
2021年 | 135篇 |
2020年 | 157篇 |
2019年 | 159篇 |
2018年 | 136篇 |
2017年 | 118篇 |
2016年 | 142篇 |
2015年 | 153篇 |
2014年 | 270篇 |
2013年 | 573篇 |
2012年 | 260篇 |
2011年 | 331篇 |
2010年 | 254篇 |
2009年 | 366篇 |
2008年 | 447篇 |
2007年 | 477篇 |
2006年 | 360篇 |
2005年 | 263篇 |
2004年 | 223篇 |
2003年 | 251篇 |
2002年 | 285篇 |
2001年 | 230篇 |
2000年 | 249篇 |
1999年 | 225篇 |
1998年 | 219篇 |
1997年 | 107篇 |
1996年 | 101篇 |
1995年 | 81篇 |
1994年 | 93篇 |
1993年 | 62篇 |
1992年 | 68篇 |
1991年 | 61篇 |
1990年 | 51篇 |
1989年 | 59篇 |
1988年 | 42篇 |
1987年 | 69篇 |
1986年 | 40篇 |
1985年 | 65篇 |
1984年 | 48篇 |
1983年 | 34篇 |
1982年 | 42篇 |
1981年 | 14篇 |
1980年 | 27篇 |
1979年 | 32篇 |
1978年 | 24篇 |
1977年 | 26篇 |
1976年 | 22篇 |
1974年 | 16篇 |
1973年 | 16篇 |
排序方式: 共有7648条查询结果,搜索用时 31 毫秒
121.
A discrete variable representation (DVR) made from distributed Gaussians gn(x) = e, (n = ?∞, …, ∞) and its infinite grid limit is described. The infinite grid limit of the distributed Gaussian DVR (DGDVR) reduces to the sinc function DVR of Colbert and Miller in the limit c → 0. The numerical performance of both finite and infinite grid DGDVRs and the sinc function DVR is compared. If a small number of quadrature points are taken, the finite grid DGDVR performs much better than both infinite grid DGDVR and sinc function DVR. The infinite grid DVRs lose accuracy due to the truncation error. In contrast, the sinc function DVR is found to be superior to both finite and infinite grid DGDVRs if enough grid points are taken to eliminate the truncation error. In particular, the accuracy of DGDVRs does not get better than some limit when the distance between Gaussians d goes to zero with fixed c, whereas the accuracy of the sinc function DVR improves very quickly as d becomes smaller, and the results are exact in the limit d → 0. An analysis of the performance of distributed basis functions to represent a given function is presented in a recent publication. With this analysis, we explain why the sinc function DVR performs better than the infinite grid DGDVR. The analysis also traces the inability of Gaussians to yield exact results in the limit d → 0 to the incompleteness of this basis in this limit. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005 相似文献
122.
CBr_4和CCl_4分子的解离反应前人已做了许多工作,他们分别采用射频放电、电子轰击、He~ 的传能反应等方法研究了CCl_4和CBr_4的解离反应,得到了CCI(A)、CCl~ 、CBr~ 等碎片的发射光谱。有关亚稳态原子与它们的传能反应,只有某些较简单的报道,对传能反应机理也未作深入探讨。本文研究了各种亚稳态原子He(2~3S)、Ne(~3P_(0.2))、Ar(~3P_(0.2))与CCl_4和CBr_4分子的传能反应,并对反应机理进行了初步的讨论和分析。 相似文献
123.
Daniel M. Chipman 《Theoretical chemistry accounts》1989,76(2):73-84
Summary The suitability of Gaussian basis sets for ab initio calculation of Fermi contact spin densities is established by application to the prototype first-row atoms B-F having open shell p electrons. Small multiconfiguration self-consistent-field wave functions are used to describe relevant spin and orbital polarization effects. Basis sets are evaluated by comparing the results to highly precise numerical grid calculations previously carried out with the same wave function models. It is found that modest contracted Gaussian basis sets developed primarily for Hartree-Fock calculations can give semiquantitative results if augmented by diffuse functions and if further uncontracted in the outer core-inner valence region. 相似文献
124.
V. V. Avdin A. A. Lymar A. V. Batist E. A. Nikitin M. Yu. Belkanova V. A. Potemkin 《Journal of Structural Chemistry》2007,48(4):747-752
Oxyhydrate gels have a hydrophilic surface, due to which they undergo destruction and secondary polymerization in aqueous media. Prolonged storage in aqueous solution gives rise to regions with selfsimilar helical ordering in gels. Structuring of this kind is also observed when synthesis is conducted under conditions that provide low gelation rates. Electromagnetic UV and visible radiation is another means to change the gel structure; it makes the oligomer species pass into the excited state, due to which one of the directions of structuring becomes dominant. This work summarizes the results of computer simulation of gel agglomerates. For oxyhydrate systems, helical ordering was found to be one of the local energy minima. The units of a macrohelix can lie at various angles relative to one another, and they can change, after absorption of energy, the helix pitch and the order of elements in the helix. 相似文献
125.
In this article, we apply a novel time‐dependent discrete variable representation (TDDVR) method proposed by Barkakaty and Adhikari to investigate tunneling through an Eckart barrier. This semi‐classical method is theoretically rigorous and straightforward to implement. Among the TDDVR formulations, this report presents the first derivation of a rigorous form of quantum force (QF) for the present perspective. The validity of this semi‐classical approach is demanded based on the excellent agreement of the tunneling probability with the corresponding quantum results. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2004 相似文献
126.
J. Hyslop 《Theoretical chemistry accounts》1973,31(3):189-194
An account is given of the use of Gaussian quadrature product formulae in the evaluation of certain six-dimensional, two-centre integrals involving one-electron Green's functions. These integrals occur in a new molecular variational principle recently proposed by Hall, Hyslop and Rees [1] from which an approximate energy may be derived which can be shown to be at least as good as that obtained from the Rayleigh-Ritz principle. Reductions in computing time are realized by removing certain singularities using a subtraction technique and also by using an empirically determined Richardson-type extrapolation formula.This paper was presented during the session on numerical integration methods for molecules of the 1970 Quantum Theory Conference in Nottingham. It has been revised in the light of the interesting discussion which followed. 相似文献
127.
In this paper, we establish the discrete approximation of continuous-state nonlinear branching processes in Lévy random environments by using tightness and convergence sequence in infinite dimensional product space via stochastic differential equations. Taking α-stable branching as an example, the conditions which are given to discretize continuous-state nonlinear branching processes in Lévy random environments are verified. © 2022 Chinese Academy of Sciences. All rights reserved. 相似文献
128.
Ezequiel V. Albano 《Journal of statistical physics》1995,78(3-4):1147-1155
The spreading of a globally distributed damage, created in the stationary regime, is studied in a single-component irreversible reaction process, i.e., the BK model [Browne and Kleban,Phys. Rev. A
40, 1615 (1989)]. The BK model describes one variant of the A+AA2 reaction process on a lattice in contact with a reservoir of A species. The BK model has a single parameter, namely the rate of arrival of A species to the lattice (Y). The model, exhibits an irreversible phase transition between a stationary reactive state with production of A2 species and a poisoned state with the lattice fully covered by A species. The transition takes place at critical points (Y
C
) which solely depend on the Euclidean dimensiond. It is found that the system is immune ford=1 andd=2, in the sense that even 100% of initial damage is healed within a finite healing period (T
H
). Within the reactive regime,T
H
diverges when approachingY
C
according toT
H
(Y
C
–Y)–, with 1.62 and 1.08 ford=1 andd=2, respectively. Ford=3 a frozen-chaotic transition is found close toY
s
0.4125, i.e., well inside the reactive regime 0YY
C
0.4985. Just atY
S
the damageD(t) heals according toD(t) t
–, with 0.71. For the frozen-chaotic transition atd=3 the order parameter critical exponent 0.997 is determined. 相似文献
129.
Anthony G. Pakes 《Annals of the Institute of Statistical Mathematics》1994,46(4):797-802
SupposeX andY are independent and identically distributed, and independent ofU which satisfies 0U1. Recent work has centered on finding the lawsL(X) for whichX U(X+Y) where denotes equality in law. We show that this equation corresponds to a certain projective invariance property under random rotations. Implicitly or explicitly, it has been assumed that the characteristic function ofX has an expansion property near the origin. We show that solutions may be admitted in the absence of this condition when –logU has a lattice law. A continuous version of the basic problem replaces sums with a Lévy process. Instead we consider self-similar processes, showing that a solution exists only whenU is constant, and then all processes of a given order are admitted.This research was in part supported by NSERC grant A-8466. 相似文献
130.
We prove the Cramér theorem forK-invariant Gaussian measures on irreducible symmetric spacesX=G/K withG semisimple noncompact. To do this we use a kind of Abel transform ofK-invariant measures onX.This research is supported by KBN Grant. 相似文献