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111.
112.
A current interpretation of XPS spectra of Ni metal assumes that the main 6 eV satellite is due to a two hole c3d94s2 (c is a core hole) final state effect. We report REELS observation in AES at low voltages of losses (plasmons and inter-band transitions) corresponding to the satellite structures in Ni metal 2p spectra. The satellite near 6 eV is attributed to a predominant surface plasmon loss. A current interpretation of Ni 2p spectra of oxides and other compounds is based on charge transfer assignments of the main peak at 854.6 eV and the broad satellite centred at around 861 eV to the cd9L and the unscreened cd8 final-state configurations, respectively (L is a ligand hole). Multiplet splittings have been shown to be necessary for assignment of Fe 2p and Cr 2p spectral profiles and chemical states. The assignments of Ni 2p states are re-examined with intra-atomic multiplet envelopes applied to Ni(OH)2, NiOOH and NiO spectra. It is shown that the free ion multiplet envelopes for Ni2+ and Ni3+ simulate the main line and satellite structures for Ni(OH)2 and NiOOH. Fitting the NiO Ni 2p spectral profile is not as straightforward as the hydroxide and oxyhydroxide. It may involve contributions from inter-atomic, non-local electronic coupling and screening effects with multiplet structures significantly different from the free ions as found for MnO. A scheme for fitting these spectra using multiplet envelopes is proposed. 相似文献
113.
R. Resel M. Oehzelt O. Lengyel T.U. Schülli G. Hlawacek C. Teichert G. Koller 《Surface science》2006,600(19):4645-4649
A para-sexiphenyl monolayer of near up-right standing molecules (nominal thickness of 30 Å) is investigated in-situ by X-ray diffraction using synchrotron radiation and ex-situ by atomic force microscopy. A terrace like morphology is observed, the step height between the terraces is approximately one molecular length. The monolayer terraces, larger than 20 μm in size, are extended along the [0 0 1] direction of the TiO2(1 1 0) substrate i.e. along the Ti-O rows of the reconstructed substrate surface. The structure of the monolayer and its epitaxial relationship to the substrate is determined by grazing incidence X-ray diffraction. Extremely sharp diffraction peaks reveal high crystalline order within the monolayer, which was found to have the bulk structure of sexiphenyl. The monolayer terraces are epitaxially oriented with the (0 0 1) plane parallel to the substrate surface (out-of-plane order). Four epitaxial relationships are observed. This in-plane alignment is determined by the arrangement of the terminal phenyl rings of the sexiphenyl molecules parallel to the oxygen rows of the substrate. 相似文献
114.
聚异丁烯高活性端基含量及相对分子质量测定方法的研究 总被引:2,自引:0,他引:2
综合使用核磁,VPO和近红外光谱分析技术对聚异丁烯活性端基含量以及相对分子质量的测定进行了详细研究,分别建立核测定聚异丁烯活性端基含量以及其他烯键含量和近红外光谱快速测量聚异聚丁烯活性端基含量。其他烯键含量和相对分子质量的分析方法。成对t检验结果表明,近红外光谱分析方法测定结果与核磁和VPO方法测定结果之间无显著性差异。 相似文献
115.
新型含氧亚甲基和亚胺桥键液晶化合物分子结构与光谱的密度泛函理论研究 总被引:3,自引:3,他引:0
采用密度泛函理论方法在B3LYP/6-31G*水平上对6个新型含氧亚甲基和亚胺桥键液晶化合物分子的几何结构进行优化计算,讨论了取代基H,CH3,CH3O,C2H5O,NO2,Cl对分子电荷、前线轨道能量和电子吸收光谱等性质的影响.在此基础上使用含时密度泛函理论方法计算了分子第一激发态的电子垂直跃迁能,得到最大吸收波长λmax.计算表明,取代基的引入导致最大吸收波长红移. 相似文献
116.
对交流电场下双巯基烷烃硫醇自组装分子膜的阻抗谱进行了研究.利用汞金属作为衬底,制备出双巯基烷烃硫醇自组装分子膜,并通过交流频谱仪对其进行频谱的扫描.明确了膜的作用范围为阻抗谱中频部分为了解释该阻抗谱,提出了一种串联的等效电路来进行了拟合,并与其他的模型进行比较.同时,观察到在损耗谱中损耗峰随硫醇碳链原子数的增加而向低频方向移动并得出双巯基硫醇(C6-C10)在交流电场下的激活能为23~39 meV. 相似文献
117.
Cr-doped mullites were prepared from single-phase precursors containing up to 9.60 wt% Cr2O3 using a sol-gel technique followed by thermal treatment. Particle induced X-ray emission spectroscopy and X-ray powder diffraction were used to characterize the samples. Mullites were orthorhombic, space group Pbam. Cr doping caused the increase of unit-cell parameters. Strongest expansion was noticed along c-axis followed by a and b (Δc/c=0.089, Δa/a=0.061, Δb/b=0.045% per mole Cr2O3). A second phase, namely θ-(Al,Cr)2O3, was revealed by XRD in the sample containing 9.60 wt% Cr2O3. The structure of mullites was refined by the Rietveld method, location of Cr3+ was performed by the EPR spectroscopy. At low chromium doping level (Cr2O3 content less than ∼5 wt%) Cr3+ ions were substituted for Al3+ in the AlO6 octahedra of the mullite structure (M1 site). For higher doping level, Cr3+ ions were additionally substituted for Al3+ in the AlO6 octahedra of the second phase [θ-(Al,Cr)2O3 at 1400 °C, or α-(Al,Cr)2O3 at 1600 °C] which segregated in the system. Substitution of Cr3+ for Al3+ on M1 site in the mullite structure resulted in increase of average distances in (M1)O6 octahedron and decrease of average distances in T*O4 tetrahedron, while average distances in TO4 tetrahedron stayed almost constant. 相似文献
118.
利用多靶磁控溅射技术制备了Au/SiO2纳米颗粒分散氧化物多层复合薄膜.研究了在保持Au单层颗粒膜沉积时间一定时薄膜厚度一定、变化SiO2的沉积时间及SiO2的沉积时间一定而改变薄膜厚度时,多层薄膜在薄膜厚度方向的微观结构对吸收光谱的影响.研究结果表明:具有纳米层状结构的Au/SiO2多层薄膜在560 nm波长附近有明显的表面等离子共振吸收峰,吸收峰的强度随Au颗粒的浓度增加而增强,在Au颗粒浓度相同的情况下,复合薄膜
关键词:
2纳米复合薄膜')" href="#">Au/SiO2纳米复合薄膜
多靶磁控溅射
吸收光谱
有效介质理论 相似文献
119.
苝二酸酐与嘧啶衍生物的氢键组装 总被引:1,自引:0,他引:1
用半经验AM1方法对苝二酸酐与嘧啶衍生物的1:1及1:2氢键复合物进行理论研究,表明随着氢键数目增多,弱相互作用能变大,主体上的供电基和客体上的吸电基有利于氢键相互作用,氢键导致电子从主体流向客体.用INDO/SCI方法计算配合物的电子光谱,表明其长波吸收峰与主体相比发生兰移,各配合物的长波吸收峰位置相差不大,与实验一致.讨论吸收峰兰移的原因并对电子跃迁进行理论指认,同时得到了配合物的双质子转移势能曲线,给出了相对于N-H键的过渡态和活化能. 相似文献
120.
M. Esmaeelpour 《Applied Surface Science》2006,252(18):6353-6359
This research investigates the effect of ion implantation dosage level and further thermal treatment on the physical characteristics of chromium coatings on Si(1 1 1) substrates. Chromium films had been exposed to nitrogen ion fluencies of 1 × 1017, 3 × 1017, 6 × 1017 and 10 × 1017 N+ cm−2 with a 15 keV energy level. Obtained samples had been heat treated at 450 °C at a pressure of 2 × 10−2 Torr in an argon atmosphere for 30 h. Atomic force microscopy (AFM) images showed significant increase in surface roughness as a result of nitrogen ion fluence increase. Secondary ion mass spectroscopy (SIMS) studies revealed a clear increased accumulation of Cr2N phase near the surface as a result of higher N+ fluence. XRD patterns showed preferred growth of [0 0 2] and [1 1 1] planes of Cr2N phase as a result of higher ion implantation fluence. These results had been explained based on the nucleation-growth of Cr2N phase and nitrogen atoms diffusion history during the thermal treatment process. 相似文献