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71.
Cancer is in general not a result of an abnormality of a single gene but a consequence of changes in many genes, it is therefore of great importance to understand the roles of different oncogenic and tumor suppressor pathways in tumorigenesis. In recent years, there have been many computational models developed to study the genetic alterations of different pathways in the evolutionary process of cancer. However, most of the methods are knowledge-based enrichment analyses and inflexible to analyze user-defined pathways or gene sets. In this paper, we develop a nonparametric and data-driven approach to testing for the dynamic changes of pathways over the cancer progression. Our method is based on an expansion and refinement of the pathway being studied, followed by a graph-based multivariate test, which is very easy to implement in practice. The new test is applied to the rich Cancer Genome Atlas data to study the (epi)genetic alterations of 186 KEGG pathways in the development of serous ovarian cancer. To make use of the comprehensive data, we incorporate three data types in the analysis representing gene expression level, copy number and DNA methylation level. Our analysis suggests a list of nine pathways that are closely associated with serous ovarian cancer progression, including cell cycle, ERBB, JAK-STAT signaling and p53 signaling pathways. By pairwise tests, we found that most of the identified pathways contribute only to a particular transition step. For instance, the cell cycle and ERBB pathways play key roles in the early-stage transition, while the ECM receptor and apoptosis pathways contribute to the progression from stage III to stage IV. The proposed computational pipeline is powerful in detecting important pathways and gene sets that drive cancers at certain stage(s). It offers new insights into the understanding of molecular mechanism of cancer initiation and progression. 相似文献
72.
Compound annotation using MS/MS data is the major bottleneck in interpretation of mass spectrometry data during non-targeted screening and suspect screening exposomics studies. Apart from compound identification using available databases or mass spectral libraries, the true challenge comes when completely new compounds have to be identified. Along with recent advances in MS instrumentation that set grounds to a new revolutionary age in environmental exposomics, a multitude of cheminformatics annotation approaches has been developed. Herein, we review the basic principles of the cutting-edge cheminformatics MS-based approaches employed in eco-exposome annotation.We give a solid background discussing the eco-exposome concept in relation to the advances in MS instrumentation, and define the three crucial cheminformatics tasks used in the eco-exposome annotation: molecular formula assignment, compound prioritization and compound annotation. The basic principles of compound annotation are discussed, which are based on three approaches of utilizing structural information inherent to MS data. These involve direct, indirect and joint annotation approaches. We assess their performance through the ability to annotate eco-exposome constituents. We discuss future perspectives and give directions to new annotation strategies and performance evaluation protocols aiming to solve current issues hampering the incorporation of cheminformatics annotation approaches in regular eco-exposome annotation workflows. 相似文献
73.
Zhongjie Ma 《大学化学》2020,35(9):209-213
The concept of solid angle is used to explain the necessary and sufficient conditions for a three-dimensional gapless structure to be achieved by combining one or several polyhedrons. In this paper, the solid angle and dihedral angle of the common regular polyhedron and the common Archimedean semi regular polyhedron are presented, and the examples of structural chemistry are analyzed. In space, the sum of solid angles must be equal to 4π(sr), so by simply adding, we can judge the possibility of gapless accumulation, know the common situation of each point, and then deduce the space structure. By using this method, we can predict some structures that do not exist yet. 相似文献
74.
Since the outbreak of novel coronavirus pneumonia (NCP) at the beginning of this year, Chinese government acted immediately and made some regulations to control the epidemic NCP and promote the recovery of society and industry including education. Chinese universities stayed on the online courses without suspension on teaching and learning. Herein, we report online teaching of structural chemistry course based on the teaching mode of online live broadcast platform, online course resources and management platforms ("1 + 2" mode). This may promote online teaching, and take advantage of online live broadcast and massive open online courses, which achieves good teaching and learning experiences on structural chemistry course. 相似文献
75.
Yongfeng Li Chaoji Chen Jianwei Song Chunpeng Yang Yudi Kuang Azhar Vellore Emily Hitz Mingwei Zhu Feng Jiang Yonggang Yao Amy Gong Ashlie Martini Liangbing Hu 《中国化学》2020,38(8):823-829
Lightweight structural materials are important for the energy efficiency of applications, particularly those in the building sector. Here, inspired by nature, we developed a strong, superhydrophobic, yet lightweight material by simple in situ growth of nano‐SiO2 and subsequent densification of the wood substrate. In situ generation of SiO2 nanoparticles both inside the wood channels and on the wood surfaces gives the material superhydrophobicity, with static and dynamic contact angles of 159.4o and 3o, respectively. Densification of the wood to remove most of the spaces among the lumen and cell walls results in a laminated, dense structure, with aligned cellulose nanofibers, which in turn contributes to a high mechanical strength up to 384.2 MPa (7‐times higher than natural wood). Such treatment enables the strong and superhydrophobic wood (SH‐Wood) to be stable and have excellent water, acid, and alkaline resistance. The high mechanical strength of SH‐Wood combined with its excellent structural stability in harsh environments, as well its low density, positions the strong and superhydrophobic wood as a promising candidate for strong, lightweight, and durable structural materials that could potentially replace steel. 相似文献
76.
The use of finite element and finite difference methods of spatial and temporal discretization for solving structural dynamics problems gives rise to purely numerical errors. Among the many numerical methods used to damp out the spurious oscillations occurring in the high frequency domain, it is proposed here to analyse and compare the well-known Bulk Viscosity method, which modifies the stresses calculations and a method recently presented by Tchamwa and Wielgosz, which is based on a modification of an explicit time integration algorithm. The efficiency of both methods is evaluated in a 2-D axisymmetric compressive test. 相似文献
77.
Zheng Zhang · Xu Han · Chao Jiang State Key Laboratory of Advanced Design Manufacturing for Vehicle Body College of Mechanical Vehicle Engineering Hunan University Changsha China 《Acta Mechanica Sinica》2011,27(5):757-766
In this article,an effective technique is developed to efficiently obtain the output responses of parameterized structural dynamic problems.This technique is based on the conception of reduced basis method and the usage of linear interpolation principle.The original problem is projected onto the reduced basis space by linear interpolation projection,and subsequently an associated interpolation matrix is generated.To ensure the largest nonsingularity,the interpolation matrix needs to go through a timenode choosing process,which is developed by applying the angle of vector spaces.As a part of this technique,error estimation is recommended for achieving the computational error bound.To ensure the successful performance of this technique,the offline-online computational procedures are conducted in practical engineering.Two numerical examples demonstrate the accuracy and efficiency of the presented method. 相似文献
78.
Adam Marsh Mahesh Prakash Eren Semercigil Özden F. Turan 《Journal of Fluids and Structures》2011,27(8):1165-1181
A liquid sloshing absorber consists of a container, partially filled with liquid. The absorber is attached to the structure to be controlled, and relies on the structure's motion to excite the liquid. Consequently, a sloshing wave is produced at the liquid free-surface within the absorber, possessing energy dissipative qualities. The primary objective of this work is to numerically demonstrate the effect of a sloshing absorber's shape on its control performance. Smoothed Particle Hydrodynamics (SPH) is used to model fluid–structure interaction of the structure/sloshing absorber system in two dimensions. The structure to be controlled is a lightly damped single degree-of-freedom structure. The structure is subjected to a transient excitation and then allowed to respond dynamically, coming to rest either due to its own damping alone or with the added control of the sloshing absorber. It is identified that the control performance of the conventionally used rectangular container geometry can be improved by having inward-angled walls. This new arrangement is robust, and of significant advantage in situations when the external disturbance is of uncertain magnitude. 相似文献
79.
就多媒体在结构力学教学中的应用进行了探索和实践, 分析了多媒体在
结构力学课程教学过程中的优势及存在的问题, 并从教学方法、教学内容、教学手段及课件
形式、信息量等方面入手, 着重讨论如何扬长避短, 合理使用多媒体进行结构力学教学. 相似文献
80.
In this article some qualitative and geometric aspects of non-smooth dynamical systems theory are discussed. The main aim of this article is to develop a systematic method for studying local (and global) bifurcations in non-smooth dynamical systems. Our results deal with the classification and characterization of generic codimension-2 singularities of planar Filippov Systems as well as the presentation of the bifurcation diagrams and some dynamical consequences. 相似文献