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931.
The aim of this work was to examine the effect of thermal treatment on organoclay sorptive properties. Aqueous sorption of nitrobenzene used as a probe compound was studied on Na-montmorillonite and two types of HDTMA-montmorillonite (where HDTMA is n-hexadecyltrimethyl ammonium exchanged by 41 and 90% of the clay cation exchange capacity) heated in air at 150, 250, 360 and 420 °C. Mild heating of sorbents (at 150 °C) results in a distinct increase of their sorptive efficacy. Treatment of organoclays at higher temperatures (250 and 360 °C) results in the significant sorbent changes as revealed by a C loss, decrease of a basal spacing and disappearance of symmetric and asymmetric stretching vibrations of CH2 but has a little impact on the sorptive efficacy (as compared with organoclays treated at 150 °C). Hence, even a significant carbon loss in thermally treated organoclays should not be necessarily linked to the loss of their sorptive potential. Further increase of the treatment temperature results in a decrease of a sorptive efficacy of all sorbents. Mild heating of organoclays in air could be useful for improving their sorptive potential. This improvement is assumed to result from the weakening of water-sorbate competition for sorption sites on a mildly heated sorbent. 相似文献
932.
933.
双波长法快速测定饮用水中的硝酸盐氮和亚硝酸盐氮 总被引:2,自引:0,他引:2
针对快速性要求较高的场合,提出基于双波长法测定硝酸盐氮和亚硝酸盐氮含量的方法,该法首先测定混合溶液在203、216、220nm处的吸光度值,其次计算216nm与203nm处的吸光度差值,通过差值的线性回归方程计算出硝酸盐氮的浓度,再通过亚硝酸盐溶液的校准曲线计算亚硝酸盐氮的含量。通过实验和分析计算,可知此法原理简单,使用方便,精密度和准确度较高,而且在没有分光光度计的情况下也能使用,大大提高了分析效率,适合用在快速估算硝酸盐氮和亚硝酸盐氮含量的场合。 相似文献
934.
V.V. Bannikov I.R. Shein N.I. Medvedeva A.L. Ivanovskii 《Journal of magnetism and magnetic materials》2009,321(21):3624-3629
We present FLAPW-GGA calculations of the magnetic and electronic properties of cubic RuNx (x=1.0, 0.75 and 0.50). We find that RuN exhibits a ferromagnetic ground state and the local ruthenium magnetic moment abruptly decreases with nitrogen vacancies. The relative positions of t2g and eg states and the Ru 4d–N 2p hybridization in RuNx are discussed. We have also found that the magnetic behavior for RuNx vs. FeNx as dependent on the nitrogen vacancies content displays an opposite trend. 相似文献
935.
936.
Agnieszka Ksiazek Piotr Borowski Krzysztof Wolinski 《Journal of magnetic resonance (San Diego, Calif. : 1997)》2009,197(2):153-160
Using quantum chemistry methods we have evaluated the solvent effects on the 14N NMR chemical shifts in five oxa- and oxadiazoles dissolved in twelve solvents. These solvents differ in their polarity with the dielectric constants varying from 2 to 80. Moreover, three of them have a hydrogen-bond donor character. All possible hydrogen-bonding in the water solution with the oxygen and nitrogen (hydrogen-acceptor) centers in oxazoles (2) and oxadiazoles (3) have been considered in our studies. It has been shown that both the pure solvent and hydrogen-bonding effects are significant and result in 14N magnetic shielding increase. In water solutions the pure solvent effect is larger than the hydrogen-bonding effect. In addition, the solvent effect has been analyzed in terms of its direct and indirect contributions. It should be emphasized that our theoretical results for 14N chemical shifts in oxa- and oxadiazoles remain in a very good agreement with the accurate experimental data. 相似文献
937.
We have studied the adsorption, vibration, and diffusion of N atoms on Ru(0 0 0 1), , and surfaces by means of the 5-parameter Morse potential (5-MP) of interaction between atomic nitrogen and a metal surface. The adsorption sites, adsorption geometry, binding energy and eigenvibration of atomic nitrogen on the different ruthenium surfaces are calculated. It is shown that atomic nitrogen always preferably occupies the high coordination sites on Ru surfaces. The 4-fold site is the preferable adsorption site for atomic nitrogen on both open and surfaces while 3-fold site is the most stable adsorption site for atomic nitrogen on both Ru(0 0 0 1) and surfaces. Moreover, we find the lowest energy pathway of diffusion and diffusion barriers of atomic nitrogen on the surfaces. 相似文献
938.
氧化锌中中性氮杂质第一性原理研究 总被引:1,自引:0,他引:1
以第一性原理计算为基础,研究了氧化锌中中性氮杂质的原子和电子结构、缺陷形成能等.根据计算结果,氮杂质为深受主,因此对氧化锌的p型导电性没有贡献.在各种中性氮杂质中,替代氧位的氮有最低的形成能和最浅的受主能级,在富氧条件下替代锌位的氮的形成能次之.氮间隙在四面体位置不稳定,会自动弛豫到kick-out结构.尽管氮可能会占据八面体间隙位置,但由于形成能过高因此其浓度会较低.同时还讨论了各种掺杂情形下的电荷密度分布,得到了自洽的结果. 相似文献
939.
We study the electron transport of nitrogen-vacancy zigzag graphene nanoribbons (ZGNRs) absorbing gas molecules. It is found that the nitrogen-vacancy ZGNRs are more sensitive to the gas molecules than the pristine ZGNRs. The gas molecules absorbed on the three-nitrogen vacancies lead to sharp resonant peaks on conductance, while those absorbed on the four-nitrogen vacancies lead to anti-resonant dips. Each kind of gas molecule can be detected by its own unique (different energy) resonant peaks (or dips). This indicates that the nitrogen vacancy can enhance the sensitivity to gas molecules, i.e., nitrogen-vacancy ZGNRs can serve as better gas sensors. 相似文献
940.
采用定容容量法,在温度6~60℃、平衡压力达106Pa的条件下,测得N2和O2在5A分子筛上系统的吸附相平衡数据。通过Langmuir和Toth等温方程关联这些相平衡数据,结果表明:线性化拟合的方法不可靠,其中用1/q~1/P形式线性化Langmuir方程,会得到误差很大的结果;用非线性法在各温度下单独拟合的等温方程和实验结果吻合很好,但是参数不符合其物理意义,进一步处理则误差较大。应当用非线性最小二乘法将所有温度下的相平衡数据一起拟合吸附等温方程。Langmuir和Toth方程都能用于描述体系的平衡吸附量随温度和压力的变化关系,而Toth方程的误差更小。 相似文献