全文获取类型
收费全文 | 3700篇 |
免费 | 159篇 |
国内免费 | 420篇 |
专业分类
化学 | 1220篇 |
晶体学 | 14篇 |
力学 | 531篇 |
综合类 | 34篇 |
数学 | 972篇 |
物理学 | 1508篇 |
出版年
2024年 | 12篇 |
2023年 | 148篇 |
2022年 | 112篇 |
2021年 | 99篇 |
2020年 | 133篇 |
2019年 | 101篇 |
2018年 | 107篇 |
2017年 | 133篇 |
2016年 | 113篇 |
2015年 | 123篇 |
2014年 | 185篇 |
2013年 | 232篇 |
2012年 | 163篇 |
2011年 | 270篇 |
2010年 | 200篇 |
2009年 | 234篇 |
2008年 | 261篇 |
2007年 | 221篇 |
2006年 | 212篇 |
2005年 | 143篇 |
2004年 | 141篇 |
2003年 | 144篇 |
2002年 | 110篇 |
2001年 | 94篇 |
2000年 | 75篇 |
1999年 | 59篇 |
1998年 | 65篇 |
1997年 | 51篇 |
1996年 | 35篇 |
1995年 | 35篇 |
1994年 | 39篇 |
1993年 | 24篇 |
1992年 | 24篇 |
1991年 | 29篇 |
1990年 | 18篇 |
1989年 | 12篇 |
1988年 | 16篇 |
1987年 | 13篇 |
1986年 | 8篇 |
1985年 | 16篇 |
1984年 | 13篇 |
1983年 | 2篇 |
1982年 | 9篇 |
1981年 | 8篇 |
1980年 | 10篇 |
1979年 | 8篇 |
1978年 | 4篇 |
1975年 | 2篇 |
1973年 | 6篇 |
1971年 | 2篇 |
排序方式: 共有4279条查询结果,搜索用时 375 毫秒
91.
采用B3LYP/6-31G*方法,对内含式化合物X@B12P12(X=Li0/+、Na0/+、K0/+、Be0/2+、Mg0/2+、Ca0/2+、H和He)的不同对称性构型进行了计算,讨论其最稳定构型的几何参数、布居分析、偶极矩、电离势、包含能、振动频率、能隙和自旋密度. 发现在X@B12P12化合物中,客体X=Li、Na0/+、K0/+、Mg0/2+、Ca0/2+和He处在偏离笼的中心0.006 nm的半径内. Be2+沿着C3轴偏离中心点0.279 nm. 在Be@B12P12和H@B12P12的基态结构中,Be和H与笼上的B原子成键. 除Li@B12P12、 Be2+@B12P12和He@ B12P12外, 其余结构为Cs对称稳定构型. 相似文献
92.
93.
在X射线荧光分析中,基本参数法是校正元素间吸收增强效应的数学方法之一。我们使用带有不锈钢窗的~(241)Am59.6keVγ射线作为激发源,用Si(Li)半导体探测器和多道脉冲幅度分析器作为实验手段。采用无标样法,即绝对测量法,因而具有更大的广泛性和实用性。实验中,我们除了考虑元素间的二次、三次荧光吸收增强作用外,对样品中元素 相似文献
94.
《Arabian Journal of Chemistry》2020,13(10):7289-7301
Black pepper oils have been investigated frequently in the recent years. However, there is a significant variation in physicochemical properties and bioactivity of oils depended on extraction techniques. In this study, the systemic investigation of four various extraction methods was performed to evaluate the physicochemical characterizations, antioxidant and antibacterial activity. The investigation of 1H NMR, FTIR and UV–Vis spectra confirmed presence of non-volatile components in oils extracted through supercritical CO2 and hexane-soaking extractions which induced their typical thermal properties. The isothermal behaviour of extracted oils related to evaporation was within range of 3.2–7.3% (w/w) at 27 °C. The SEM images of the black pepper confirmed different operation manners of mechanism between extractions using the solvents and heating process. The lowest MIC for both essential oils from conventional hidrodistillation and microwave-assisted hidrodistillation against two bacteria including E. coli and B. subtilis were found to be 137 µg mL−1. The non-isothermal decomposition kinetics were investigated on the essential oil of microwave-assisted hydrodistillation extraction. The activation energies and pre-exponent factors of non-isothermal decomposition were found to be in range of 36.5–73.7 KJ mol−1 and 4.98 × 103–1.97 × 108 s−1, respectively, dependent on conversional fractions of the oil. The results revealed that chemical components, physicochemical properties and bioactivity of black pepper essential oils depended on the extraction techniques. 相似文献
95.
Weakly bound linear and bent dimers, FH—X (where X = CO, OC, CNH, NCH, N2O and ON2), are investigated using the DFT B3LYP and ab initio MP2 methods with the same basis sets (6–311++G(3df,2pd)). The strengths of the H—C or H—N H‐bonds in dimers FH—CO, FH—CNH, and FH—N2O are compared with those of the H—O or H—N H‐bonds in dimers FH—OC, FH—NCH, and FH—ON2. The results obtained for the H‐bond distances, the elongation effect of the HF bond, the red shift of the HF stretching frequency, and the energy difference between the dimer and the charge transfer reveal that the H‐bonds of the first group of dimers are stronger than those of the second. The Gibbs energies calculated for the six dimer formations indicate that the weakly bound dimers are unstable at room temperature (T = 298 K) (FH—X's → FH + X's, ΔG < 0). 相似文献
96.
Tonggang Jiu Yongjun Li Haiyang Gan Yuliang Li Huibiao Liu Shu Wang Weidong Zhou Chunru Wang Xiaofang Li Xiaofeng Liu Daoben Zhu 《Tetrahedron》2007,63(1):232-240
The oligo(p-phenylene vinylene)-porphyrin-oligo(p-phenylene vinylene) (P-OPVn, n=2, 4, where n is the number of phenyl rings) and the complex with Zn2+ based on P-OPVn were synthesized for investigating their photophysical properties via UV-vis, voltammetry, steady-state and time-resolved fluorescence spectra. In these molecules two OPV moieties as energy donors were linked to porphyrin center by virtue of Wittig reaction. The detailed studies of photophysical properties indicate that OPV group can act as an antenna unit for effective intramolecular energy transfer. 相似文献
97.
用真空蒸发沉积的方法制备了纳米稀土(La、Nd、Sm)粒子 BaO介质薄膜.研究表明薄膜的光电发射光谱响应阈值受纳米稀土粒子形状和大小的影响,球形纳米稀土(Sm)粒子 BaO介质薄膜的光谱响应阈值波长为720 nm,条状纳米稀土(La和Nd)粒子 BaO介质薄膜阈值波长分别为650 nm和660 nm.研究得到纳米稀土粒子 介质薄膜等效界面位垒高度在1.7~2.0 eV之间.由于纳米稀土粒子与BaO介质各自逸出功不同,当构成薄膜后使得纳米粒子周围的空间电荷分布发生变化,纳米粒子周围的能带发生弯曲. 相似文献
98.
根据化合物形成过程中价电子能量变化与生成焓之间的关系, 推导出烷烃的生成焓和电离能之间的关系. 以21个烷烃化合物为模型将实验测定的电离能与标准生成焓进行直接关联, 证实了模型方程的适用性, 所得回归方程的相关系数达到0.9999, 估算值与实验值之间的标准偏差仅为0.03 eV. 同时还利用实验测定的标准生成焓对一系列烷烃的电离能作了预测. 相似文献
99.
Interlayer energy transfer between 2,3-naphthol-10-hexadecylaza-15-crown-5(NC16) and N-[1-(9-methoxyanthryl)] decylaza-15-crown-5(A10C) within multilayer Langmuir-Blodgett films has been studied by steady-state fluorescence spectra. The donor and acceptor could be separated precisely by inserting stearic acid (SA) spacers. The efficiency of the energy transfer increases with the decrease in the donor-acceptor distance by a quadratic manner, suggesting the donor excitations are delocalized in the layer. 相似文献
100.
Based on building emerging engineering education of "energy chemistry", we investigated the state key petro-chemical enterprises according to the industrial development and the demand of professional talents. The research report summarizes, analyzes and discusses the current priority development fields of industry, the talent training status, curriculum structure and education program of the chemistry and chemical engineering in universities. The ideas on emerging engineering education of "energy chemistry" have been proposed, and it will be beneficial to building a novel education program for talents training, which integrates the principle of chemistry, energy conversion and information science, etc. 相似文献