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121.
Dr. Chao Wang Min Hu Dr. Yueying Chu Xue Zhou Dr. Qiang Wang Dr. Guodong Qi Dr. Shenhui Li Prof. Dr. Jun Xu Prof. Dr. Feng Deng 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(18):7265-7269
The understanding of catalyst deactivation represents one of the major challenges for the methanol-to-hydrocarbon (MTH) reaction over acidic zeolites. Here we report the critical role of intermolecular π-interactions in catalyst deactivation in the MTH reaction on zeolites H-SSZ-13 and H-ZSM-5. π-interaction-induced spatial proximities between cyclopentenyl cations and aromatics in the confined channels and/or cages of zeolites are revealed by two-dimensional solid-state NMR spectroscopy. The formation of naphtalene as a precursor to coke species is favored due to the reaction of aromatics with the nearby cyclopentenyl cations and correlates with both acid density and zeolite topology. 相似文献
122.
Yan‐Tong Xu Zi‐Ming Ye Jia‐Wen Ye Li‐Ming Cao Rui‐Kang Huang Jun‐Xi Wu Dong‐Dong Zhou Xue‐Feng Zhang Chun‐Ting He Jie‐Peng Zhang Xiao‐Ming Chen 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2019,131(1):145-149
Cobalt imidazolate frameworks are classical electrocatalysts for the oxygen evolution reaction (OER) but suffer from the relatively low activity. Here, a non‐3d metal modulation strategy is presented for enhancing the OER activity of cobalt imidazolate frameworks. Two isomorphous frameworks [Co4(MO4)(eim)6] (M=Mo or W, Heim=2‐ethylimidazole) having Co(eim)3(MO4) units and high water stabilities were designed and synthesized. In different neutral media, the Mo‐modulated framework coated on a glassy carbon electrode shows the best OER performances (1 mA cm?2 at an overpotential of 210 mV in CO2‐saturated 0.5 m KHCO3 electrolyte and 2/10/22 mA cm?2 at overpotential of 388/490/570 mV in phosphate buffer solution) among non‐precious metal catalysts and even outperforms RuO2. Spectroscopic measurements and computational simulations revealed that the non‐3d metals modulate the electronic structure of Co for optimum reactant/product adsorption and tailor the energy of rate‐determining step to a more moderate value. 相似文献
123.
Xianhao Lv Mizhen Sun Lei Xu Runzhe Wang Huayi Zhou Yuyu Pan Shitong Zhang Qikun Sun Shanfeng Xue Wenjun Yang 《Chemical science》2020,11(19):5058
Designing a donor–acceptor (D–A) molecule with a hybridized local and charge transfer (HLCT) excited state is a very effective strategy for producing an organic light-emitting diode (OLED) with a high exciton utilization efficiency and external quantum efficiency. Herein, a novel twisting D–π–A fluorescent molecule (triphenylamine–anthracene–phenanthroimidazole; TPAAnPI) is designed and synthesized. The excited state properties of the TPAAnPI investigated through photophysical experiments and density functional theory (DFT) analysis reveal that its fluorescence is due to the HLCT excited state. The optimized non-doped blue OLED using TPAAnPI as a light-emitting layer exhibits a novel blue emission with an electroluminescence (EL) peak at 470 nm, corresponding to the Commission International de L''Eclairage (CIE) coordinates of (0.15, 0.22). A fabricated device termed Device II exhibits a maximum current efficiency of 18.09 cd A−1, power efficiency of 12.35 lm W−1, luminescence of ≈29 900 cd cm−2, and external quantum efficiency (EQE) of 11.47%, corresponding to a high exciton utilization efficiency of 91%. Its EQE remains as high as 9.70% at a luminescence of 1000 cd m−2 with a low efficiency roll-off of 15%. These results are among the best for HLCT blue-emitting materials involved in non-doped blue fluorescent OLEDs. The performance of Device II highlights a great industrial application potential for the TPAAnPI molecule.A new pure fluorescent blue HLCT-emitter was designed and synthesized. Highly efficient non-doped blue OLEDs with low efficiency roll-off were achieved. 相似文献
124.
A new cage compound, 3, 5, 8, 10, 11, 12-hexanitro-3, 5, 8, 10, 11, 12-hexaazatetracyclo [5.5.1.12,6.04,9] dodecane (HNHATCD, I) as well as its –ONO2 (II) and –N3 (III) derivatives were proposed in the present work. Their molecular structures were optimized at the B3LYP/6-31G(d,p) level of density functional theory. Heat of formation, strain energy, detonation performance, and thermal stability were studied. Results show that the –N3 group greatly increases the heat of formation, but decreases the strain energy and density, and it is much more helpful for enhancing the detonation energy than the –NO2 and –ONO2 groups. An analysis of bond dissociation energies (BDEs) of the weakest bonds implies that the BDE of –N3 derivatives is the smallest but it is still larger than 120 kJ mol?1, revealing that these designed compounds have a high thermal stability. Considering the detonation performance and thermal stability, I and II may be potential candidates of high energy density materials. 相似文献
125.
Zhang HM Zhou QH Xue MG Wang YQ 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2011,78(3):1018-1022
The interaction between triphenyltin (TPT) and humic acid (HA) was investigated using UV-vis and fluorescence spectra techniques. The experimental results showed that the fluorescence quenching of HA by TPT was a result of the interaction of TPT with HA. The binding constant K(b) and corresponding thermodynamic parameters were measured at different temperatures. The binding of TPT molecule to HA is a spontaneous molecular interaction procedure in which entropy increased and Gibbs free energy decreased. Hydrophobic interaction force plays a major role in stabilizing the TPT-HA complex. The three-dimensional fluorescence contour spectra revealed that TPT could enter into the hydrophobic cavities in some domain of HA. 相似文献
126.
Research on Chemical Intermediates - One-dimensional (1D) TiO2 nanoarrays (NAs) were synthesized by a hydrothermal process, and Ag nanoparticles (NPs) were deposited on the arrays using a... 相似文献
127.
Baocai Du Renyong Geng Wenliang Tan Yuchao Mao Donghui Li Xue Zhang Dan Liu Weihua Tang Wenchao Huang Tao Wang 《Journal of Energy Chemistry》2021,(3):131-137
Molecular ordering within the photoactive layer plays a crucial role in determining the device performance of organic solar cells(OSCs).However,the simultaneous molecular ordering processes of polymer donors and non-fullerene acceptors(NFAs)during solution casting usually bring confinement effect,leading to insufficient structural order of photovoltaic components.Herein,the molecular packing of mINPOIC NFA is effectively formed through a heating induced aggregation strategy,with the aggregation of PBDB-T,which has a strong temperature dependence,is retarded by casting on a preheated substrate to reduce its interference toward m-INPOIC.A sequent thermal annealing treatment is then applied to promote the ordering of PBDB-T and achieve balanced aggregation of both donors and acceptors,resulting in the achievement of a maximum efficiency of 13.9% of PBDB-T:m-INPOIC binary OSCs.This work disentangles the interactions of donor polymer and NFA during the solution casting process and develops a rational strategy to enhance the molecular packing of NFAs to boost device performance. 相似文献
128.
A Study of the Probe Effect on the Apparent Image of Biological Atomic Force Microscopy 总被引:1,自引:0,他引:1
Xue Mei WANG * Lei QIN Long BA Zu Hong LU The State Key Lab of Coordination Chemistry Nanjing University Nanjing National Lab of Molecular Biomolecular Electronics Southeast University Nanjing 《中国化学快报》2001,(12)
The atomic force microscopy (AFM) possesses high spatial resolution and it is compatible with liquid environments. AFM can provide possibility to study a wide range of biological problems at the molecular level and acquire topological information at nanometre resolution under physiological conditions1,2. However, a major problem for image reconstruction of biological specimens is that structures of most biological molecules are very soft and delicate, which could be easily deformed and dama… 相似文献
129.
4 酰代双吡唑啉酮是以吡唑酮为端基、脂肪族碳氢取代基联结而成的一类新型非环四齿酸性螯合剂[1 ,2 ] ,螯合功能团比普通的 4 酰代吡唑酮多一倍 ,对金属离子具有很强的萃取能力 ,其中对Fe(Ⅲ )、Co(Ⅱ )、Ni(Ⅱ )、稀土离子的萃取分离以及稀土荧光配合物方面的研究已有报道[3~ 5] 。为了进一步探讨该类萃取剂的萃取性能 ,在合成萃取剂 1 ,4 双 ( 1′ 苯基 3′ 甲基 5′ 氧代吡唑 4′ 基 )丁二酮 [1 ,4]的基础上 ,研究了H2 A与DAM的氯仿溶液从硝酸介质中协同萃取Ln(Ⅲ )的性能。通过考察萃取剂浓度和溶液酸度等因素对Ln(Ⅲ … 相似文献
130.