全文获取类型
收费全文 | 958篇 |
免费 | 271篇 |
国内免费 | 189篇 |
专业分类
化学 | 551篇 |
晶体学 | 80篇 |
力学 | 86篇 |
综合类 | 26篇 |
数学 | 269篇 |
物理学 | 406篇 |
出版年
2023年 | 7篇 |
2022年 | 39篇 |
2021年 | 27篇 |
2020年 | 37篇 |
2019年 | 29篇 |
2018年 | 33篇 |
2017年 | 52篇 |
2016年 | 35篇 |
2015年 | 64篇 |
2014年 | 82篇 |
2013年 | 110篇 |
2012年 | 143篇 |
2011年 | 163篇 |
2010年 | 137篇 |
2009年 | 119篇 |
2008年 | 99篇 |
2007年 | 76篇 |
2006年 | 38篇 |
2005年 | 26篇 |
2004年 | 18篇 |
2003年 | 1篇 |
2002年 | 8篇 |
2001年 | 12篇 |
2000年 | 9篇 |
1999年 | 13篇 |
1998年 | 4篇 |
1997年 | 6篇 |
1996年 | 2篇 |
1995年 | 2篇 |
1994年 | 1篇 |
1993年 | 2篇 |
1991年 | 5篇 |
1990年 | 1篇 |
1989年 | 2篇 |
1988年 | 2篇 |
1987年 | 1篇 |
1986年 | 1篇 |
1983年 | 1篇 |
1982年 | 1篇 |
1981年 | 3篇 |
1980年 | 2篇 |
1979年 | 2篇 |
1975年 | 1篇 |
1971年 | 1篇 |
1936年 | 1篇 |
排序方式: 共有1418条查询结果,搜索用时 15 毫秒
131.
132.
133.
134.
135.
136.
Shao Y Molnar LF Jung Y Kussmann J Ochsenfeld C Brown ST Gilbert AT Slipchenko LV Levchenko SV O'Neill DP DiStasio RA Lochan RC Wang T Beran GJ Besley NA Herbert JM Lin CY Van Voorhis T Chien SH Sodt A Steele RP Rassolov VA Maslen PE Korambath PP Adamson RD Austin B Baker J Byrd EF Dachsel H Doerksen RJ Dreuw A Dunietz BD Dutoi AD Furlani TR Gwaltney SR Heyden A Hirata S Hsu CP Kedziora G Khalliulin RZ Klunzinger P Lee AM Lee MS Liang W Lotan I Nair N Peters B Proynov EI Pieniazek PA Rhee YM 《Physical chemistry chemical physics : PCCP》2006,8(27):3172-3191
Advances in theory and algorithms for electronic structure calculations must be incorporated into program packages to enable them to become routinely used by the broader chemical community. This work reviews advances made over the past five years or so that constitute the major improvements contained in a new release of the Q-Chem quantum chemistry package, together with illustrative timings and applications. Specific developments discussed include fast methods for density functional theory calculations, linear scaling evaluation of energies, NMR chemical shifts and electric properties, fast auxiliary basis function methods for correlated energies and gradients, equation-of-motion coupled cluster methods for ground and excited states, geminal wavefunctions, embedding methods and techniques for exploring potential energy surfaces. 相似文献
137.
Kuma S Slipchenko MN Kuyanov KE Momose T Vilesov AF 《The journal of physical chemistry. A》2006,110(33):10046-10052
The IR spectra of complexes of water with nitrogen molecules in the range of the symmetric (nu(1)) and antisymmetric (nu(3)) bands of H(2)O have been studied in helium droplets. The infrared intensities of the nu(3) and nu(1) modes of H(2)O were found to be larger by factors of 1.3 and 2, respectively, in the N(2)-H(2)O complexes. These factors are smaller than those obtained in recent theoretical calculations. The conformation of the N(2)-H(2)O complex was estimated. Spectra and IR intensities of the (N(2))(2)-H(2)O and N(2)-(H(2)O)(2) complexes were also obtained and their structures are discussed. 相似文献
138.
Multi-mode spiral wave and its breakup in 1-d and 2-d coupled oscillatory media is studied here by theoretic analysis and numerical simulations. The analysis in 1-d system shows that the dispersion relation curve could be nonmonotonic depending on the coupling strength. It may also lead to the coexistence of different wave numbers within one system. Direct numerical observations in 1-d and 2-d systems conform to the prediction of dispersion relation analysis. Our findings indicate that the wave grouping can also be observed in oscillatory media without tip meandering and waves with negative group velocity can occur without inhomogeneity. 相似文献
139.
The main purpose of this paper is using the analytic method and the properties of trigonometric sums and character sums to study the computational problem of one kind hybrid power mean involving two-term exponential sums and polynomial character sums. Then the authors give some interesting calculating formulae for them. 相似文献
140.
The authors prove a sufficient stochastic maximum principle for the optimal control of a forward-backward Markov regime switching jump diffusion system and show its connection to dynamic programming principle. The result is applied to a cash flow valuation problem with terminal wealth constraint in a financial market. An explicit optimal strategy is obtained in this example. 相似文献