全文获取类型
收费全文 | 1395篇 |
免费 | 360篇 |
国内免费 | 479篇 |
专业分类
化学 | 877篇 |
晶体学 | 25篇 |
力学 | 170篇 |
综合类 | 32篇 |
数学 | 329篇 |
物理学 | 801篇 |
出版年
2024年 | 10篇 |
2023年 | 39篇 |
2022年 | 40篇 |
2021年 | 31篇 |
2020年 | 27篇 |
2019年 | 60篇 |
2018年 | 66篇 |
2017年 | 53篇 |
2016年 | 78篇 |
2015年 | 53篇 |
2014年 | 94篇 |
2013年 | 87篇 |
2012年 | 79篇 |
2011年 | 84篇 |
2010年 | 85篇 |
2009年 | 74篇 |
2008年 | 94篇 |
2007年 | 79篇 |
2006年 | 76篇 |
2005年 | 75篇 |
2004年 | 79篇 |
2003年 | 85篇 |
2002年 | 41篇 |
2001年 | 74篇 |
2000年 | 75篇 |
1999年 | 96篇 |
1998年 | 41篇 |
1997年 | 52篇 |
1996年 | 45篇 |
1995年 | 40篇 |
1994年 | 43篇 |
1993年 | 31篇 |
1992年 | 30篇 |
1991年 | 22篇 |
1990年 | 15篇 |
1989年 | 26篇 |
1988年 | 16篇 |
1987年 | 16篇 |
1986年 | 17篇 |
1985年 | 13篇 |
1984年 | 19篇 |
1983年 | 13篇 |
1982年 | 11篇 |
1981年 | 10篇 |
1980年 | 7篇 |
1966年 | 3篇 |
1965年 | 4篇 |
1963年 | 4篇 |
1957年 | 3篇 |
1956年 | 3篇 |
排序方式: 共有2234条查询结果,搜索用时 15 毫秒
51.
52.
53.
邻二甲苯…Ar, N2, NH3(ND3)范德华复合物的共振双光子电离光谱 总被引:2,自引:0,他引:2
在超声分子束中,使用双光子共振电离光谱技术和飞行时间质谱技术研究了复合物邻二甲苯…Ar.N2,NH3(ND3).通过理论计算及同位素光谱效应.合理地归属了这些复合物的光谱.并由此获得这些复合物分子问各种模式的振动频率. 相似文献
54.
氯代甲苯双电荷离子的单分子解离反应研究 总被引:1,自引:0,他引:1
研究了在70 eV电子轰击电离条件下,氯代甲苯及氯化苄产生的双电荷离子[C_7H_7Cl]~(2+)、[C_7H_6Cl]~(2+·)和[C_7H_5Cl]~(2+)为母体的两种类型单分子解离反应.主要讨论了亚稳双电荷离子的异构化反应、失H解高的“偶电子规则”以及单分子电荷分离过渡态的结构. 相似文献
55.
Mg-based hydrogen storage alloys Mg0.9Ti0.1-xZrxNi (x=0.02, 0.04, 0.06) were successfully prepared by means of mechanical alloying (MA). The effects of Zr addition on the discharge capacity and the cycle performance of the Mg-based electrodes were also studied. It was found that the discharge capacities were improved with addition of a small amount of Zr and the cycle performances of the alloy were stabilized with the addition of Ti. The effects of surface modification or coating on the properties of Mg0.9Ti0.06Zr0.04Ni were also studied. The results indicated that coating with graphite improved both the discharge capacity and cycle life of the amorphous Mg0.9Ti0.06Zr0.04Ni electrode. 相似文献
56.
57.
58.
59.
使用2,6-二苯基-4-(2,4,6-三苯基-1-吡啶鎓)苯氧内盐染料(Reichardt's Dye)研究锂离子电池中非水电解质溶剂碳酸酯的极性,并测量极性经验参数ET(30)碳酸乙烯酯为48.6,碳酸丙烯酯为46.1,2,3-碳酸丁烯酯为45.7,碳酸二甲酯为39.0,碳酸甲乙酯为37.3,碳酸二乙酯为37.0.LiClO4加入到碳酸酯溶剂中,显色剂受到离子的盐效应影响,表现为溶液体系的ET(30)值增加,极性增大.由于溶液中粒子间的相互作用不同,环碳酸酯与链状碳酸酯极性变化趋势不同.极性大的溶剂易形成Ar-O-…solvent…Li+结构,起到缓冲作用,抑制了显色剂的酚氧基与Li+直接作用. 相似文献
60.
A general method in considering the core electronic correlation energies has been proposed and introduced into the standard Gaussian-2 (G2)[7] theory by small post-Hartree-Fock calculations. In this paper an additional MP2(FC)/6-31G(d) calculation over the G2 procedures is employed and examined in modification in modification to the flaw of Frozen-Core (FC) approximation of G2 vai eq.:
ΔE(full)= E[MP2(full)/6-31G(d)]-E[MP2(FC)/6-31G(d)]
where the MP2(full)/6-31G(d) energy has been obtained in the molecular geometry optimizations. This energy, ΔE(full), is directly added into the total G2 energy of a molecule in facilitating the effect of core electronic correlations for each molecule in chemical reactions. It has been shown that the over-all average absolute deviation for the 125 reaction energies of the G2 test set (test set 1) is slightly reduced from 5.09 to 5.01 kJ, mol(-1) while for the 55 D0 values, which have been used for the derivation of the A coefficient of the empirical High-Level...更多-Correction (HLC), it is also reduced from 4.99 [for both G2 and G2(COMPLETE)[8]]to 4.77 kJ• mol(-1). In addition, larger errors (greater than ±8.4 kJ•mol(-1) for the D0 energies are improved, especially for the largest error of the D0 of SO2 This error is reduced from 21.3 to 15.4 kJ. mol(-1), in which the experimental geometry would further reduce it by 7.1kJ.mol(-1)[8]. Another improvement is the absolute value of the A coefficient in HLC being reduced from 4.81 for G2 to 4.34 milli-hartrees which is believed to be useful in isolating the relationship between the HLC and the FC approximation. Modifications to the original G2 from this work is denoted as G2(fu 1) and thus the G2 (fu 1) total energy for a molecule is
E[G2(fu 1)]= E[G2]+Δ E(full)h
with a new ΔE[HLC] =-0.19α- 4.34nβ milli-hartree. 相似文献
ΔE(full)= E[MP2(full)/6-31G(d)]-E[MP2(FC)/6-31G(d)]
where the MP2(full)/6-31G(d) energy has been obtained in the molecular geometry optimizations. This energy, ΔE(full), is directly added into the total G2 energy of a molecule in facilitating the effect of core electronic correlations for each molecule in chemical reactions. It has been shown that the over-all average absolute deviation for the 125 reaction energies of the G2 test set (test set 1) is slightly reduced from 5.09 to 5.01 kJ, mol(-1) while for the 55 D0 values, which have been used for the derivation of the A coefficient of the empirical High-Level...更多-Correction (HLC), it is also reduced from 4.99 [for both G2 and G2(COMPLETE)[8]]to 4.77 kJ• mol(-1). In addition, larger errors (greater than ±8.4 kJ•mol(-1) for the D0 energies are improved, especially for the largest error of the D0 of SO2 This error is reduced from 21.3 to 15.4 kJ. mol(-1), in which the experimental geometry would further reduce it by 7.1kJ.mol(-1)[8]. Another improvement is the absolute value of the A coefficient in HLC being reduced from 4.81 for G2 to 4.34 milli-hartrees which is believed to be useful in isolating the relationship between the HLC and the FC approximation. Modifications to the original G2 from this work is denoted as G2(fu 1) and thus the G2 (fu 1) total energy for a molecule is
E[G2(fu 1)]= E[G2]+Δ E(full)h
with a new ΔE[HLC] =-0.19α- 4.34nβ milli-hartree. 相似文献