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61.
J.Y. Park J.H. Seo J.Y. Kim C.N. Whang S.S. Kim D.S. Choi K.H. Chae 《Applied Surface Science》2005,240(1-4):305-311
Alkali metals (AM) on semiconductors have been investigated as a simple model system for the metal-semiconductor interfaces due to their simple electronic structures. Especially, cesium (Cs) on Si(0 0 1) surface has been studied with various experimental techniques. In this study, we investigated the atomic structure of initial Cs adsorption on Si(0 0 1)-(2×1) surface using coaxial impact collision ion scattering spectroscopy. When Cs atoms are adsorbed on Si(0 0 1)-(2×1) up to 0.2 ML at room temperature, the initial adsorption site is on-top T3 site with poor periodicity and the length of Si dimer is reserved as in the clean Si(0 0 1) surface. It is also found that Cs atoms adsorbed on Si(0 0 1) surface with a height of 2.83±0.05 Å from the second layer of Si(0 0 1) surface. 相似文献
62.
Ihyeok Seo 《Mathematische Nachrichten》2014,287(5-6):699-703
In this note we study the property of unique continuation for solutions of , where V is in a function class of potentials including for . In particular, when , our result gives a unique continuation theorem for the fractional Schrödinger operator in the full range of α values. 相似文献
63.
Yong-Seok Choi Kyung-Won Seo Myong-Hwan Sohn Sang-Joon Lee 《Optics and Lasers in Engineering》2012,50(1):39-45
The accurate three-dimensional (3D) velocity field measurement technique has been receiving large attention in the study of microfluidics. DHM-PTV technique was developed by combining the digital holographic microscopy and particle tracking velocimetry technique. DHM-PTV is an ideal method for measuring three-component-three-dimensional (3C-3D) velocity field in a microscale flow with a fairly good spatial resolution. The advances in the DHM-PTV technique enable the measurement of various microscale flows, such as transport of red blood cells in a microtube and 3D flows in microfluidic devices. DHM-PTV is also applied in studying the motile behavior of swimming microorganisms. DHM-PTV would play an important role in ascertaining the undiscovered basic physics in various microscale and biofluid flow phenomena. In the current study, the basic principle of the DHM-PTV technique and its typical applications to microscale flows are introduced and discussed. 相似文献
64.
An Aluminophosphate Molecular Sieve with 36 Crystallographically Distinct Tetrahedral Sites 下载免费PDF全文
Jun Kyu Lee Alessandro Turrina Liangkui Zhu Seungwan Seo Dr. Daliang Zhang Dr. Paul A. Cox Prof. Paul A. Wright Prof. Shilun Qiu Prof. Suk Bong Hong 《Angewandte Chemie (International ed. in English)》2014,53(29):7480-7483
The structure of the new medium‐pore aluminophosphate molecular sieve PST‐6 is determined by the combined use of rotation electron diffraction tomography, synchrotron X‐ray powder diffraction, and computer modeling. PST‐6 was prepared by calcination of another new aluminophosphate material with an unknown structure synthesized using diethylamine as a structure‐directing agent, which is thought to contain bridging hydroxy groups. PST‐6 has 36 crystallographically distinct tetrahedral sites in the asymmetric unit and is thus crystallographically the most complex zeolitic structure ever solved. 相似文献
65.
Molecular Orbital Controlling Donor Moiety for High‐Efficiency Thermally Activated Delayed Fluorescent Emitters 下载免费PDF全文
A new donor moiety, 7,7,13,13‐tetramethyl‐7,13‐dihydro‐5H‐indeno[1,2‐b]acridine (IAc), was developed to control the highest occupied molecular orbital (HOMO) dispersion of thermally activated delayed fluorescent (TADF) emitters. The IAc unit expanded the HOMO dispersion of the emitters and increased the quantum efficiency of the TADF devices up to 20.9 %. 相似文献
66.
Theoretical investigation of the structures and spectroscopic properties of (H2O4)n (n = 1–4) clusters 下载免费PDF全文
Hong‐Dal Kim Hyun‐Il Seo Hui‐Seong Song Seung‐Joon Kim 《International journal of quantum chemistry》2016,116(19):1427-1436
Density functional theory and ab initio calculations were performed to elucidate the hydrogen interactions in (H2O4)n (n = 1–4) clusters. The optimized geometries, binding energies, and harmonic vibrational frequencies were predicted at various levels of theory. The trans conformer of the H2O4 monomer was predicted to be the most stable structure at the CCSD(T)/aug‐cc‐pVTZ level of theory. The binding energies per H2O4 monomer increased in absolute value by 9.0, 10.1, and 11.8 kcal/mol from n = 2 to n = 4 at the MP2/cc‐pVTZ level of theory (after the zero‐point vibrational energy and basis set superposition error corrections). This result implies that the intermolecular hydrogen bonds were stronger in the long‐chain clusters, that is, the formation of the longer chain in the (H2O4)n clusters was more energetically favorable. 相似文献
67.
Gombojav B Park H Kim JI Ju YS Sung J Cho SI Lee MK Ohrr H Radnaabazar J Seo JS 《Experimental & molecular medicine》2008,40(5):558-564
Elevated heart rate has been proposed as an independent risk factor for cardiovascular diseases, but their interrelationships are not well understood. In this study, we performed a genome-wide linkage scan in 1,026 individuals (mean age 30.6 years, 54.5% women) from 73 extended families of Mongolia and determined quantitative trait loci that influence heart rate. The DNA samples were genotyped using deCODE 1,039 microsatellite markers for 3 cM density genome-wide linkage scan. Correlation analysis was carried out to evaluate the correlation of the covariates and the heart rate. T-tests of the heart rate were also performed on sex, smoking and alcohol intake. Consequently, this model was used in a nonparametric genome-wide linkage analysis using variance component model to create a multipoint logarithm of odds (LOD) score and a corresponding P value. In the adjusted model, the heritability of heart rate was estimated as 0.32 (P<.0001) and a maximum multipoint LOD score of 2.03 was observed in 77 cM region at chromosome 18. The second largest LOD score of 1.52 was seen on chromosome 5 at 216 cM. Genes located on the specified locations in chromosomes 5 and 18 may be involved in the regulation of heart rate. 相似文献
68.
Kim HM Jeong BH Hyon JY An MJ Seo MS Hong JH Lee KJ Kim CH Joo T Hong SC Cho BR 《Journal of the American Chemical Society》2008,130(13):4246-4247
We report a new two-photon fluorescence turn-on probe 6-[(E)-3-oxo-1-dodecenyl]-2-[N-methyl-N-(carboxymethyl)amino]naphthalene (CL2) that is designed specifically for visualizing lipid rafts in living cells and tissues. This probe emits much brighter two-photon excited fluorescence in lipid rafts than in non-raft domains and allows direct visualization of the lipid rafts in the live cells and pyramidal neuron layer of the CA1 region at a depth of 100-250 mum in live tissues using two-photon microscopy. 相似文献
69.
Drug-likeness prediction is important for the virtual screening of drug candidates. It is challenging because the drug-likeness is presumably associated with the whole set of necessary properties to pass through clinical trials, and thus no definite data for regression is available. Recently, binary classification models based on graph neural networks have been proposed but with strong dependency of their performances on the choice of the negative set for training. Here we propose a novel unsupervised learning model that requires only known drugs for training. We adopted a language model based on a recurrent neural network for unsupervised learning. It showed relatively consistent performance across different datasets, unlike such classification models. In addition, the unsupervised learning model provides drug-likeness scores that well separate distributions with increasing mean values in the order of datasets composed of molecules at a later step in a drug development process, whereas the classification model predicted a polarized distribution with two extreme values for all datasets presumably due to the overconfident prediction for unseen data. Thus, this new concept offers a pragmatic tool for drug-likeness scoring and further can be applied to other biochemical applications.A new quantification method of drug-likeness based on unsupervised learning. The method only uses drug molecules as training set without any non-drug-like molecules. 相似文献
70.