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991.
992.
氮的三原子化合物的从头算及密度泛函研究 总被引:1,自引:0,他引:1
在6-311+G*基组水平上,对氮的三原子化合物N3^-、N3、N3^+,用MP2及六种密度泛涵方法进行了研究。结果表明,对于已知结构的化合物和计算结果与实验测定值非常吻合,对实验上未知的化合物分子的稳定几何构型及其有关参数进行了新的探讨和补充,同时比较了N3^-、N3、N3^+间相对稳定性和几何性质,并讨论了几种不同方法对该化合物系列诸性质参数的影响,结合MO理论及成键能的计算结果进行了成键分析。 相似文献
993.
分离了三七、水葫芦和菠菜植物光系统Ⅱ富集的颗粒,并且采用吸收光谱和低温荧光光谱及皮秒荧光单光子计数技术进行了研究。结果显示,它们的吸收光谱图具有相似性。采用三指数动力学模型对三种光系统Ⅱ颗粒实验测定的光系统Ⅱ荧光衰减曲线拟合。水葫芦植物PSⅡ颗粒光系统三个组分荧光寿命分别是:157ps,415ps和1661ps;菠菜体系的相应荧光寿命分别是:198ps,677ps和1244ps;三七体系的相应荧光寿命分别是:14ps,272ps和184ps。慢速度荧光衰减由叶绿素堆积造成的,中等速度荧光衰减源于PSⅡ反应中心重新结合电荷组分,快速度荧光衰减归属于PSⅡ反应中心组分。基于20ps模型计算出三七植物PSⅡ颗粒的光系统Ⅱ反应中心转能效率为41%,水葫芦为89%,菠菜为91%,数值结果表明三七植物生长慢的特性可以表现在光合作用原初过程中,大量的被值物吸收的光子产生的激发态能量以荧光发射和非辐射形式消耗了,而没有被有效地利用,进一步验证了我们提出的观点:植物生长速度与它们的荧光性质和荧光寿命有相关性,生长慢的植物对激发态能利用效率则较低。 相似文献
994.
995.
Jun Ai Kai-Seng Chou Juncheng Wei 《Calculus of Variations and Partial Differential Equations》2001,13(3):311-337
Similarity between the roles of the group on the equation for self-similar solutions of the anisotropic affine curve shortening problem and of the conformal group
of on the Nirenberg problem for prescribed scalar curvature is explored. Sufficient conditions for the existence of affine self-similar
curves are established.
Received June 26, 1999 / Accepted January 28, 2000 / Published online December 8, 2000 相似文献
996.
脉冲悬浮体进样火焰原子吸收光谱法直接测定土壤中铬 总被引:5,自引:0,他引:5
以阴离子表面活性剂SDS为增敏试剂,脉冲悬体进样火焰原子吸收光谱法直接测定土壤中格,结果表明,SDS在土壤悬浮体中对铬的吸收信号表现出明显的增敏作用,铬的绝对灵敏度为7.90ng(进样体积为500ul),直接测定土壤中铬的检出限达4.3ng,加标回收率99.4%,相对标准偏差3%(n=3),方法可直接测定NBS标准物质蕃茄叶中铬。 相似文献
997.
ZSM‐5 coatings, have been synthesized onto a monolithic cordierite substrate by an environmental friendly and high coating selectivity method—Vapor Phase Transport (VPT). With this method, an aluminosilicate gel coated onto the monolithic cordierite substrate has been transformed into a ZSM‐5 layer under vapors of n‐butylamine and water, n‐Butylamine played a key role in the forming of ZSM‐5 layer on the cordierite substrate. The ZSM‐5/cordierite monolith composites prepared by this method were ion‐exchanged with Cu2+ and tested for the selective catalytic reduction of NO by propane. The deNOx activities of Cu/ZSM‐5 monolith catalysts were not only dependent on the ion‐exchange methods, but also on the ZSM‐5 loading of the monolith catalysts. The best result was obtained over the Cu (B3)/ZSM‐5 monolith catalyst, which had a ZSM‐5 loading of about 13% and was prepared by a pressure exchange procedure. At a temperature of 723 K and a space velocity of 10,000 h?1 (based on the monolith volume), 85% of NO conversion and 93% of C3H3 conversion were achieved over the Cu(B3)/ZSM‐5 monolith catalyst. 相似文献
998.
999.
1000.
M L Alvarez J Ai W Zumft J Sanders-Loehr D M Dooley 《Journal of the American Chemical Society》2001,123(4):576-587
Nitrous oxide reductase (N(2)OR) from Pseudomonas stutzeri, a dimeric enzyme with a canonical metal ion content of at least six Cu ions per subunit, contains two types of multinuclear copper sites: Cu(A) and Cu(Z). An electron-transfer role for the dinuclear Cu(A) site is indicated based on its similarity to the Cu(A) site in cytochrome c oxidase (CcO), a dicysteinate-bridged, mixed-valence cluster. The Cu(Z) site is the catalytic site, which had long been thought to have novel spectroscopic properties. However, the low-energy electronic transitions and resonance Raman features attributable to Cu(Z) have been difficult to reconcile with a lack of conserved cysteine residues in standard alignments of N(2)OR sequences, other than those associated with the Cu(A) site. Recent evidence indicates that nitrous oxide reductase contains acid-labile sulfide and that this sulfide is a constituent of the Cu(Z) site (Rasmussen, T.; Berks, B. C.; Sanders-Loehr, J.; Dooley, D. M.; Zumft, W. G.; Thomson, A. J. Biochemistry 2000, 39, 12753-12756). We have used resonance Raman (RR) spectroscopy to selectively probe the Cu(A) and Cu(Z) sites of N(2)OR in three oxidation states (oxidized, semireduced, and reduced) as well as Cu(A)-only and Cu(Z)-only variants. The Cu(A) (mixed-valence, also designated as A(mv)) RR spectrum exhibits 10 vibrational modes between 220 and 410 cm(-1), with >1-cm(-1) (34)S isotope shifts that sum to -16.6 cm(-1). Many of these modes are also sensitive to (65)Cu and (15)N(His) and, thus, can be assigned to coupling of the Cu-S stretch, nu(Cu-S), with cysteine and histidine vibrations of the Cu(2)Cys(2)His(2) core. The RR spectrum of the Cu(Z) site (Z(ox)) reveals a novel Cu-sulfur chromophore with four S isotope-sensitive modes at 293, 347, 352, and 408 cm(-1), with a total (34)S shift of -19.9 cm(-)(1). The magnitude of the S isotope shifts and wide spread of perturbed frequencies are similar to those observed in Cu(A) and therefore suggest a sulfur-bridged cluster in Z(ox). The Z(ox) site has its nu(Cu-S)-containing modes at higher energy and exhibits less mixing with ligand deformations, compared to Cu(A). Reduction by dithionite produces a mixed-valence Cu(Z) site (Z(mv)) with six S isotope-sensitive RR modes between 282 and 382 cm(-1) and a total (34)S-shift of -16.9 cm(-1). The observation of a nearly identical RR spectrum in the C622D variant of N(2)OR, which lacks one of the conserved Cu(A) Cys residues, establishes that Cu-S vibrations observed in this variant arise from the Z(mv) site. Furthermore, none of the features assigned to Cu(Z) are detected in a second variant that contains only Cu(A). Therefore the resonance Raman spectra reported here provide compelling evidence for a unique Cu-S cluster in the catalytic site of nitrous oxide reductase. 相似文献