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91.
以2-氰基-3-(4-(2-氯-3-甲基-1-丁酰氧基)-苯基丙烯酸(A)为质子给体,N-(4-吡啶基亚甲基)-4-烷氧基苯胺(nSSZ)为质子受体,合成了一系列新的氢键复和物,经红外光谱证实了分子间氢键的存在,通过DSC,偏光方法及X射线衍射方法对其液晶行为进行研究,结果表明复合物呈现近晶相行为。 相似文献
92.
The essential features (geometries of the minima and of the saddle points, energy barriers) of the potential energy surface of the four hydrides YXH4 mentioned in the title have been determined with two basis sets, of minimal and DZ quality respectively. The importance of the different extent of the deformation of the XH4 group in the different structures of the four hydrides is brought out and discussed. The aspects of charge distribution and bonding are examined drawing on population analysis, comparison of the electrostatic molecular potentials and decomposition of the interaction energy (this last referred to the Y+ + XH
4
–
YXH4 process). The capability of XH3 in effecting the etherolytic disruption of the Y-H bond is finally brought out. 相似文献
93.
Takeharu Haino 《Tetrahedron letters》2004,45(11):2281-2284
Shape-selective recognition for the dicarboxylates in DMSO can be attained by a new calix[4]arene-based receptor 1 having two urea groups. Biologically active chorismate selectively bound in 1 over its dehydrated derivative. Molecular mechanics calculations gave a plausible explanation for the selective binding. 相似文献
94.
《Electroanalysis》2004,16(23):1999-2002
We have demonstrated an electrochemical gene chip protocol for the SNPs detection of nonlabeled DNA. Using an array consisting of streptavidin‐modified gold electrodes, probe DNA were attached through the application of a direct electric field. Electrochemical response changes originating from the hybridization of nucleic acids to protein‐bound nucleic acids using soluble mediators in K3Fe(CN)6 solution could then be observed. The electrochemical protocol developed showed high sensitivity and good reproducibility in the detection of DNA hybridization. Significant changes in electrochemical signals were also observed when using target DNA with a single base mismatch, indicating the applicability of this method to single nucleotide polymorphisms (SNPs) detection. 相似文献
95.
H.?Hussain H.?U.?Rehman Z.?AhmadEmail author 《Journal of Sol-Gel Science and Technology》2005,36(3):239-248
Nano-composites from aramid-silica system have been prepared via sol-gel process. Poly (phenyleneterephthalamide) copolymer
chains were prepared by reacting a mixture of p- and m-phenylenediamines with terephthaloyl chloride in dimethylacetamide used as solvent. The sol-gel process in the polymer
matrix was carried out through hydrolysis and condensation of a mixture of tetraethoxysilane and (3-glycidoxypropyl) trimethoxysilane.
The latter was used to develop linkage, on one hand with silica network structure using alkoxy groups and on the other hand
with aramid chains at its secondary amine groups through glycidal groups of silane. Mutual interaction between the two disparate
phases aramid and silica network was thus created. Thin films of the composites containing different proportions of silica
ranging from 5.0 to 25.0-wt% were cast by the solvent elution technique. The α-relaxation temperature associated with the
glass transition was measured by the dynamic mechanical thermal analysis. The results showed an increase in the glass transition
temperature from 328°C for the pure aramid to 352°C for the hybrid materials containing 25-wt% silica, an indicative of the
increased interfacial interaction between the two phases. Films having relatively low silica content were flexible and transparent,
but those with high silica content were opaque and brittle. These films were tested for their tensile strength, modulus and
toughness. The mechanical strength of the composites as compared to the pure aramid increased initially but with further addition
of silica the strength decreased. The initial increase can be explained due to increased interfacial interaction between the
two phases, however agglomeration of silica particles was responsible for decreasing strength at higher silica contents. 相似文献
96.
Odin C 《Magnetic resonance in chemistry : MRC》2004,42(4):381-388
A variable-temperature high-resolution 13C and 87Rb solid-state NMR study of powder rubidium hydrogencarbonate, RbHCO3, is presented for the first time. At ambient temperature, RbHCO3 is formed by centrosymmetric dimers linked by hydrogen bonds, but almost no information is available on this compound concerning proton disorder and the low-temperature phase. However, potassium hydrogencarbonate, KHCO3, which has an isomorphic structure for the high temperature phase, was well studied: it undergoes a non-ferroic, non-ferroelectric phase transition at Tc = 318 K between two monoclinic structures. The protons are disordered in an asymmetric double-well potential in the low-temperature phase, and the double-well potential becomes symmetric in the high-temperature phase. By comparison with recent solid-state NMR experimental results on KHCO3, we show that RbHCO3 undergoes a phase transition at Tc approximately 245 K, and give evidence that the proton dynamic disorder in both compounds is very similar. 相似文献
97.
W. Mikenda F. Pertlik E. Steinwender 《Monatshefte für Chemie / Chemical Monthly》1993,124(8-9):867-875
Summary X-ray structural data are reported for 2-hydroxy-benzhydrazide(monoclinic; P21/n-C
2h
5
;a=10.569(2) Å,b=11.264(2) Å,c=6.074(1) Å, =98.80(1)°;Z=4;R=0.054) and 2-hydroxy-thiobenzhydrazide (monoclinic; P21/n-C
2h
5
;a=14.598(6) Å,b=5.975(2) Å,c=9.286(4) Å, =107.80(3)°;Z=4;R=0.044). In both compounds the phenolic OH groups are intramolecularly hydrogen bonded to the (thio)carbonyl oxygens and sulfurs, respectively; the basic intermolecular association patterns consist of closed six-membered hydrogen bonded dimers which are connected via N-H ... NH2 hydrogen bonds. The spectral characteristics of the intramolecular O-H...O/S hydrogen bonds (solid state
(OH)=2800/2700 cm–1, CCl4 solution
(OH)=3035/3100 cm–1, CDCl3 solution (OH)=11.62/10.56 ppm) are similar to those of corresponding primary and secondary amides. The solid state IR spectra are consistent with hydrogen bonded NH groups and free NH2 groups, the solution IR spectra indicate free NH2 as well as free NH groups.
Wasserstoffbrückenbindung in 2-Hydroxy-benzhydrazid und 2-Hydroxy-thiobenzhydrazid. Strukturelle und spektroskopische Untersuchungen
Zusammenfassung Es werden Röntgenstrukturdaten für 2-Hydroxy-benzhydrazid (monoklin; P21/n- C 2h 5 ;a=10.569(2) Å,b=11.264(2)Å,c=6.074(1)Å, =98.80(1)°;Z=4;R=0.054) und 2-Hydroxy-thiobenzhydrazid (monoklin; P21/n - C 2h 5 ;a=14.598(6)Å,b=5.975(2)Å,c=9.286(4)Å, =107.80(3)°;Z=4;R=0.044) berichtet. In beiden Verbindungen bilden die phenolischen OH-Gruppen intramolekulare Wasserstoffbrücken mit den Carbonyl-Sauerstoff-, bzw. den Thiocarbonyl-Schwefel-Atomen. Das intermolekulare Assoziationsmuster wird durch N-H...NH2 Wasserstoffbrücken bestimmt, die jeweils zwei Moleküle über sechszählige Ringe zu Dimeren verbinden. Die IR- und NMR-spektroskopischen Charakteristika der intramolekularen O-H...O/S Wasserstoffbrücken (kristallin: (OH)=2800/2700 cm–1, CCl4-Lösungen: (OH)=3035/3100 cm–1, CDCl3-Lösungen: (OH)=11.62/10.56 ppm) sind sehr ähnlich zu denen entsprechender primärer und sekundärer Amide. Die Festkörper-IR-Spektren stehen in Einklang mit assoziierten NH- und freien NH2-Gruppen, während die Lösungs-IR-Spektren auch auf das Vorliegen freier NH-Gruppen schließen lassen.相似文献
98.
99.
Rong-Bin Huang Nan-Feng Zheng Su-Yuan Xie Lan-Sun Zheng 《Journal of inclusion phenomena and macrocyclic chemistry》2001,40(1-2):121-124
Crystal structure analysis shows that the p-tert-butylcalix[8]arene host and its four pyridine guests sit around an inversion center in the P21/c crystal lattice. The monoclinic cell parameters and its volume are: a = 19.617(4), b = 9.912(2), c = 25.178(5) , = 101.03(3)°, V =4805.27(17) 3. For Z = 2 and Mw = 1614.18, the calculated density Dcalc = 1.116 g/cm3. A host calixarene molecule includes four pyridine guests in two different ways: by hydrogen bonding and by possible C–H· interaction between the molecules. The hydrogen bonding drives the host macrocycle into a chair-like conformation. 相似文献
100.
A complexing process is developed to prepare Y-Ba-Cu-O superconducting fibers. The process is not identical to typical sol-gel processes; here the resulting gel network is built up by hydrogen bonding linkage among complexing species in non-aqueous solution. Cu acetate, [Cu(OAC)2], Ba methoxyethoxide [Ba(ORE)2] and Y acetate [Y(OAC)3] are used as precursors for preparing homogeneous gels while -methacrylic acid (HOAA) and diethylenetriamine (DETA) as complexing agents, and methoxyethanol (REOH) as solvent. Fibers drawn from a sol obtained through reduced pressure present no or little deformation at 80°MoC via adjusting the amount of DETA and HOAA. Cu(OAC)2, Ba(ORE)2 and Y(OAC)3 in the complexing process have been demonstrated to form gels without hydrolysis and condensation at ambient atmosphere. The relationships between the drawing behavior of sols and gel structure with different amounts of DETA and HOAA are suggested. The concentration region of drawing the gel fibers with no or little deformation heated at 80°MoC is also found. 相似文献