全文获取类型
收费全文 | 5119篇 |
免费 | 247篇 |
国内免费 | 22篇 |
专业分类
化学 | 3536篇 |
晶体学 | 22篇 |
力学 | 103篇 |
数学 | 755篇 |
物理学 | 972篇 |
出版年
2023年 | 50篇 |
2022年 | 72篇 |
2021年 | 107篇 |
2020年 | 147篇 |
2019年 | 144篇 |
2018年 | 93篇 |
2017年 | 76篇 |
2016年 | 229篇 |
2015年 | 172篇 |
2014年 | 200篇 |
2013年 | 279篇 |
2012年 | 422篇 |
2011年 | 514篇 |
2010年 | 249篇 |
2009年 | 157篇 |
2008年 | 337篇 |
2007年 | 356篇 |
2006年 | 318篇 |
2005年 | 294篇 |
2004年 | 217篇 |
2003年 | 138篇 |
2002年 | 120篇 |
2001年 | 53篇 |
2000年 | 37篇 |
1999年 | 28篇 |
1998年 | 28篇 |
1997年 | 26篇 |
1996年 | 43篇 |
1995年 | 39篇 |
1994年 | 41篇 |
1993年 | 41篇 |
1992年 | 43篇 |
1991年 | 21篇 |
1990年 | 14篇 |
1989年 | 26篇 |
1988年 | 12篇 |
1987年 | 8篇 |
1986年 | 11篇 |
1985年 | 17篇 |
1984年 | 13篇 |
1983年 | 14篇 |
1982年 | 20篇 |
1981年 | 13篇 |
1980年 | 10篇 |
1979年 | 16篇 |
1978年 | 13篇 |
1977年 | 13篇 |
1976年 | 14篇 |
1974年 | 8篇 |
1973年 | 34篇 |
排序方式: 共有5388条查询结果,搜索用时 15 毫秒
51.
Abe F Albrow M Amidei D Anway-Wiese C Apollinari G Atac M Auchincloss P Azzi P Bacchetta N Baden AR Badgett W Bailey MW Bamberger A de Barbaro P Barbaro-Galtieri A Barnes VE Barnett BA Bartalini P Bauer G Baumann T Bedeschi F Behrends S Belforte S Bellettini G Bellinger J Benjamin D Benlloch J Bensinger J Beretvas A Berge JP Bertolucci S Biery K Bhadra S Binkley M Bisello D Blair R Blocker C Bodek A Bolognesi V Booth W Boswell C Brandenburg G Brown D Buckley-Geer E Budd HS Busetto G 《Physical review D: Particles and fields》1994,50(9):5562-5579
52.
Michael D. Westmoreland Benjamin W. Schumacher Steven C. Bailey 《International Journal of Theoretical Physics》1996,35(1):62-62
Reichenbach proposed a three-valued logic to describe quantum mechanics. In his development, Reichenbach presented three different negation operators without providing any criteria for choosing among them. In this paper we develop two three-valuedderived logics for classical systems. These logics are derived in that they are based on a theory of physical measurement. In this regard they have some of the characteristics of the quantum logic developed by Birkhoff and von Neumann. The theory of measurement used in the present development is the one used previously in developingbivalent derived logics for classical systems. As these systems are derived logics, many of the ambiguities possessed by systems such as Reichenbach's are avoided. 相似文献
53.
Abe F Akimoto H Akopian A Albrow MG Amendolia SR Amidei D Antos J Anway-Wiese C Aota S Apollinari G Asakawa T Ashmanskas W Atac M Azfar F Azzi-Bacchetta P Bacchetta N Badgett W Bagdasarov S Bailey MW Bao J de Barbaro P Barbaro-Galtieri A Barnes VE Barnett BA Barzi E Bauer G Baumann T Bedeschi F Behrends S Belforte S Bellettini G Bellinger J Benjamin D Benlloch J Bensinger J Benton D Beretvas A Berge JP Berryhill J Bertolucci S Bhatti A Biery K Binkley M Bisello D Blair RE Blocker C Bodek A 《Physical review letters》1996,77(10):1945-1949
54.
Abe F Akimoto H Akopian A Albrow MG Amendolia SR Amidei D Antos J Anway-Wiese C Aota S Apollinari G Asakawa T Ashmanskas W Atac M Auchincloss P Azfar F Azzi-Bacchetta P Bacchetta N Badgett W Bagdasarov S Bailey MW Bao J de Barbaro P Barbaro-Galtieri A Barnes VE Barnett BA Barzi E Bauer G Baumann T Bedeschi F Behrends S Belforte S Bellettini G Bellinger J Benjamin D Benlloch J Bensinger J Benton D Beretvas A Berge JP Berryhill J Bertolucci S Bhatti A Biery K Binkley M Bisello D Blair RE 《Physical review letters》1996,76(23):4307-4311
55.
Strain energies and resonance energies can be obtained as the energy changes for appropriate homodesmotic reactions using ab initio calculated total energies as the energies of the reactants and products involved. Homodesmotic reactions conserve bond types and preserve valence environments at all atoms, requirements that favor the cancellation of basis set and electron correlation errors in the ab initio energies. In this paper we calculate strain energies and resonance energies for N(4), N(6), and N(8) clusters in a number of chemically significant but, for nitrogen, hypothetical structural forms. The nitrogen cluster strain energies are generally of the same order of magnitude as those of isostructural hydrocarbon clusters, and individual differences can be explained by using the ring strain additivity rule and recognizing the effect of the presence of lone pairs of electrons on nitrogen clusters but not on the hydrocarbons. Resonance energies of the nitrogen clusters are much smaller than those of the comparable aromatic hydrocarbons. The differences can be rationalized by considering the relative strengths of CC and NN single and double bonds. Strain and resonance energies of nitrogen clusters are compared with those previously reported for homoatomic clusters of phosphorus and arsenic. Trends through the series are remarkably similar, but strain energies for clusters from lower periods are progressively smaller. Strain and resonance have been important organizing concepts in organic chemistry for many years. Estimates of corresponding parameters for inorganic analogs are only now becoming available. 相似文献
56.
Abe F Albrow M Amidei D Anway-Wiese C Apollinari G Atac M Auchincloss P Azzi P Baden AR Bacchetta N Badgett W Bailey MW Bamberger A de Barbaro P Barbaro-Galtieri A Barnes VE Barnett BA Bauer G Baumann T Bedeschi F Behrends S Belforte S Bellettini G Bellinger J Benjamin D Benlloch J Bensinger J Beretvas A Berge JP Bertolucci S Biery K Bhadra S Binkley M Bisello D Blair R Blocker C Bodek A Bolognesi V Booth AW Boswell C Brandenburg G Brown D Buckley-Geer E Budd HS Busetto G Byon-Wagner A 《Physical review D: Particles and fields》1993,48(3):998-1008
57.
Sloutskin E Solutskin E Ocko BM Tamam L Taman L Kuzmenko I Gog T Deutsch M 《Journal of the American Chemical Society》2005,127(21):7796-7804
The surface structure and thermodynamics of two ionic liquids, based on the 1-alkyl-3-methylimidazolium cations, were studied by X-ray reflectivity and surface tensiometry. A molecular layer of a density approximately 18% higher than that of the bulk is found to form at the free surface of these liquids. In common with surface layering in liquid metals and surface freezing in melts of organic chain molecules, this effect is induced by the lower dimensionality of the surface. The concentrations of the oppositely charged ions within the surface layer are determined by chemical substitution of the anion. The temperature-dependent surface tension measurements reveal a normal, negative-slope temperature dependence. The different possible molecular arrangements within the enhanced-density surface layer are discussed. 相似文献
58.
Exact rotamer optimization for protein design 总被引:1,自引:0,他引:1
Computational methods play a central role in the rational design of novel proteins. The present work describes a new hybrid exact rotamer optimization (HERO) method that builds on previous dead-end elimination algorithms to yield dramatic performance enhancements. Measured on experimentally validated physical models, these improvements make it possible to perform previously intractable designs of entire protein core, surface, or boundary regions. Computational demonstrations include a full core design of the variable domains of the light and heavy chains of catalytic antibody 48G7 FAB with 74 residues and 10(128) conformations, a full core/boundary design of the beta1 domain of protein G with 25 residues and 10(53) conformations, and a full surface design of the beta1 domain of protein G with 27 residues and 10(60) conformations. In addition, a full sequence design of the beta1 domain of protein G is used to demonstrate the strong dependence of algorithm performance on the exact form of the potential function and the fidelity of the rotamer library. These results emphasize that search algorithm performance for protein design can only be meaningfully evaluated on physical models that have been subjected to experimental scrutiny. The new algorithm greatly facilitates ongoing efforts to engineer increasingly complex protein features. 相似文献
59.
Chin W Dognon JP Piuzzi F Tardivel B Dimicoli I Mons M 《Journal of the American Chemical Society》2005,127(2):707-712
Laser desorption of model peptides coupled to laser spectroscopic techniques enables the gas-phase observation of genuine secondary structures of biology. Spectroscopic evidence for the formation of beta-turns in gas-phase peptide chains containing glycine and phenylalanine residues establishes the intrinsic stability of these forms and their ability to compete with other stable structures. The precise characterization of local minima on the potential energy surface from IR spectroscopy constitutes an acute assessment for the state-of-the-art quantum mechanical calculations also presented. The observation of different types of beta-turns depending upon the residue order within the sequence is found to be consistent with the residue propensities in beta-turns of proteins, which suggests that the prevalence of glycine in type II and II' turns stems essentially from an energetic origin, already at play under isolated conditions. 相似文献
60.
Cheng Zhang Laurence Bensaid Donna McGregor Xikui Fang Robertha C. Howell Benjamin Burton-Pye Qunhui Luo Louis Todaro Lynn C. Francesconi 《Journal of Cluster Science》2006,17(2):389-425
Lanthanide complexes of polyoxometalates, including the α2-P2W17O61
10− ligand, have been pioneered by Michael T. Pope, to whom this paper is dedicated. Examination of the solid-state and solution behavior of lanthanide complexes of the α2-P2W17O61
10− ligand are reported here to identify trends that will facilitate rational synthesis of hybrid organic lanthanide polyoxometalate complexes. Therefore, combining our data with that obtained by Pope and others a number of trends come into view. It is clear that there are two structural types for the 1:1 or 2:2 [Ln(H2O)X(α2-P2W17O61)]2
14− species. The early lanthanides show a “cap to cap” structure that allows the Ln ion to be 9 coordinate and accommodates the longer bond lengths. The mid-late lanthanides show a “cap to belt” structure that allows the lanthanides to be 8 coordinate; this structural type is appropriate for the shorter bond lengths of the later lanthanides. The 1:1⇌1:2 equilibrium, that was observed by Pope for the Ce(III) analog is prevalent for the early- mid lanthanides. This equilibrium is slightly dependent on pH; however, cations have a major influence on this equilibrium. Larger, poorly hydrated cations appear to favor the 1:2 species for the early to mid lanthanides. Cations do not appear to influence the equilibrium for the later lanthanides; for all counterions, the 1:1 species was stable with no trace of the 1:2 species. Stability constants, K1 and K2, for the early to mid lanthanides were measured in this study by a competitive method and compared well with other published stability constant determinations. We suggest that the stability constants are not only dependent on the strength of interaction of the Ln with the α2-P2W17O61
10− ligand, but are also significantly influenced by the medium. The medium may bias the equilibria of the early-mid lanthanides and later lanthanides. The log K1/log K2 ratios are very close, suggesting that it is difficult to separate the 1:1 and 1:2 Ln: α2-P2W17O61
10− species.Electronic Supplementary Material Supplementary material for this article is available at and is accessible for authorized users.This paper is dedicated to Professor Michael T. Pope in honor of his substantial and sustained contributions to polyoxometalate chemistry and his inspiration to scientists working in the field. 相似文献