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排序方式: 共有1324条查询结果,搜索用时 15 毫秒
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A three-field local projection stabilized (LPS) finite element method is developed for computations of a three-dimensional axisymmetric buoyancy driven liquid drop rising in a liquid column where one of the liquid is viscoelastic. The two-phase flow is described by the time-dependent incompressible Navier-Stokes equations, whereas the viscoelasticity is modeled by the Giesekus constitutive equation in a time-dependent domain. The arbitrary Lagrangian-Eulerian (ALE) formulation with finite elements is used to solve the governing equations in the time-dependent domain. Interface-resolved moving meshes in ALE allows to incorporate the interfacial tension force and jumps in the material parameters accurately. A one-level LPS based on an enriched approximation space and a discontinuous projection space is used to stabilize the numerical scheme. A comprehensive numerical investigation is performed for a Newtonian drop rising in a viscoelastic fluid column and a viscoelastic drop rising in a Newtonian fluid column. The influence of the viscosity ratio, Newtonian solvent ratio, Giesekus mobility factor, and the Eötvös number on the drop dynamics are analyzed. The numerical study shows that beyond a critical Capillary number, a Newtonian drop rising in a viscoelastic fluid column experiences an extended trailing edge with a cusp-like shape and also exhibits a negative wake phenomena. However, a viscoelastic drop rising in a Newtonian fluid column develops an indentation around the rear stagnation point with a dimpled shape. 相似文献
4.
Mana Yuasa Ryuki Sumida Dr. Yuya Tanaka Prof. Dr. Michito Yoshizawa 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(10):e202104101
To explore new cavity functions, we herein employed cis-trans stereoisomers with a N=N, C=C, or C=N unit as guest indicators for a polyaromatic capsule. Thanks to the rigid, spherical cavity with a diameter of ∼1 nm, azobenzene and stilbene derivatives are quantitatively encapsulated by the capsule with 100 % cis-selectivity in water. The isomerization of the cis-azo compound is suppressed against heat and light in the cavity, due to the confinement effect. Furthermore, C,N-diphenyl imine derivatives are quantitatively encapsulated by the capsule in water and adopt an otherwise unstable cis-form. The polyaromatic cavity suppresses the hydrolysis of the imines in water, even at elevated temperature, due to the shielding effect. Accordingly, the properties of the cis-trans isomers could be largely altered through supramolecular manipulation. 相似文献
5.
Oksana Kharchenko Vitaliy Smokal Oksana Krupka Pavlo Virych Natalia Kutsevol 《Molecular Crystals and Liquid Crystals》2020,699(1):51-56
AbstractThe thermostability of polysterene with/without new styrylquinoline containing methacrylic fragments has been described in the present work. Polystyrene and copolymers based on styrene and new methacrylic styrylquinoline containing monomers were synthesized by free radical thermoinitiated polymerization in the presence of 2,2′-azobisisobutyronitrile (1?wt%) as initiator at inert atmosphere. The impact of 2-[2-(4-methoxyphenyl)ethenyl]quinolin-8-yl 2-methylpropyl-2-enoate (М1), 2-(2-phenylethenyl)quinolin-8-yl 2-methylpropyl-2-enoate (М2), 2-[2-(4-nitrophenyl)ethenyl]quinolin-8-yl 2-methylpropyl-2-enoate (М3) on thermal stability of polystyrene was investigated. The thermostability of polystyrene and copolymers ST:M1, ST:M2, ST:M3 were studied by dynamic thermograviametric analysis. It was shown that destruction of polystyrene with corresponding units M1-M2 starts at 41–42°С higher, than reference polystyrene. 相似文献
6.
Ioannis Toulopoulos 《Applicable analysis》2020,99(7):1153-1170
ABSTRACTIn this paper, a stabilized space-time finite element method for solving linear parabolic evolution problems is analyzed. The proposed method is developed on a base of a space-time variational setting, that helps on the simultaneous and unified discretization in space and in time by finite element techniques. Stabilization terms are constructed by means of classical bubble spaces. Stability of the discrete problem with respect to an associated mesh dependent norm is proved, and a priori discretization error estimates are presented. Numerical examples confirm the theoretical estimates. 相似文献
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Hindered amine light stabilizers are used to protect polymers from heat- and light-induced degradation. In this study the oligomeric stabilizer Tinuvin 622 was analysed in-depth employing high performance liquid chromatography/time of flight mass spectrometry (HPLC/TOF-MS) to differentiate products of different manufacturers in respect of their terminating groups and oligomer length. Additionally, the behaviour of the stabilizer in uncured and cured polyester powder coatings was investigated regarding its interaction with the other coating components and chemical changes during the crosslinking process. The extraction efficiency was determined as a function of oligomer length and coating colour. 相似文献
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Huiye Zhong Wei-Shang Lo Tiantian Man Benjamin P. Williams Dan Li Dr. Sheng-Yu Chen Prof. Dr. Hao Pei Prof. Dr. Li Li Prof. Dr. Chia-Kuang Tsung 《Chemistry (Weinheim an der Bergstrasse, Germany)》2020,26(57):12931-12935
DNAzymes are a promising class of bioinspired catalyst; however, their structural instability limits their potential. Herein, a method to stabilize DNAzymes by encapsulating them in a metal–organic framework (MOF) host is reported. This biomimetic mineralization process makes DNAzymes active under a wider range of conditions. The concept is demonstrated by encapsulating hemin-G-quadruplex (Hemin-G4) into zeolitic imidazolate framework-90 (ZIF-90), which indeed increases the DNAzyme's structural stability. The stabilized DNAzymes show activities in the presence of Exonuclease I, organic solvents, or high temperature. Owing to its elevated stability and heterogeneous nature, it is possible to perform catalysis under continuous-flow conditions, and the DNAzyme can be reactivated in situ by introducing K+. Moreover, it is found that the encapsulated DNAzyme maintains its high enantiomer selectivity, demonstrated by the sulfoxidation of thioanisole to (S)-methyl phenyl sulfoxide. This concept of stabilizing DNAzymes expands their potential application in chemical industry. 相似文献
9.
Anna V. Pomogaeva Anna S. Lisovenko Artem S. Zavgorodnii Alexey Y. Timoshkin 《Journal of computational chemistry》2023,44(3):218-228
Stabilization of hydrogen-substituted group 13–15 compounds H2EE′H2 (E = B, Al, Ga; E′ = P, As, Sb) by Lewis acids is considered at B3LYP/def2-TZVP, B3LYP-D3/def2-TZVP and M06-2X/def2-TZVP levels of theory. It is shown, that for many Lewis acids additional reactivity beyond the DA complex formation with H2EE′H2 monomer is expected. In case of complexation with E(C6F5)3, F/H exchange reactions with group 13 bound hydrides are predicted to be exothermic and accompanied by the activation energies which are smaller than dissociation of the complex into components. In case of complex formation with transition metal (TM) carbonyls, additional O → Al, TM–C → Al interactions are observed, which in several cases lead to cyclic structures. The most promising candidates for the experimental studies have been identified. Synthetic approaches to the most promising LA-only stabilized compounds are recommended. 相似文献
10.
Effect of microhydration on the atmospherically important metastable carbonyl sulfide anion: Structure,energetic, and infrared study 下载免费PDF全文
Saptarsi Mondal Avula Uday Teja Prashant Chandra Singh 《International journal of quantum chemistry》2015,115(12):785-795
Structure, energetics, and vibrational frequency of the microhydrated carbonyl sulfide anion [OCS?? (H2O)n (n = 1–6)] have been explored by the systematic ab initio study to have a comprehensive understanding about the hydration‐induced stabilization phenomenon of OCS?. Water binds with the OCS? in single hydrogen‐bonded (SHB) or double hydrogen‐bonded (DHB) fashion with O? H S and O? H O contacts. Maximum five water molecules can stay in a cyclic water network of these hydrated clusters forming interwater hydrogen bonding (IHB) with each other and out of this, maximum of two water molecules can bind directly to the OCS? in (DHB) arrangement. The stabilization energy values of OCS?? (H2O)n depict that ion–water interaction is significant up to four water molecules and beyond that OCS? is stabilized by IHB between the water molecules. The CO stretching frequency of OCS? gets red shifted, whereas CS stretching frequency gets blue shifted on hydration. Charge analysis of hydrated clusters of OCS? indicates that negative charge moves toward oxygen from sulfur on hydration. © 2015 Wiley Periodicals, Inc. 相似文献