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101.
Santiago Pedro H. O. Fujimori Mahmi Chagas Marcio A. S. França Eduardo L. Honorio-França Adenilda C. Gatto Claudia C. 《Structural chemistry》2020,31(1):171-180
Structural Chemistry - Two novel Cu(I) complexes with the 2-acetylpyridine-N(4)-phenyl semicarbazone (HL) ligand, [CuCl (HL)(PPh3)]∙CH3CN (1) and [CuBr (HL)(PPh3)] (2), were investigated by... 相似文献
102.
Takao Tsuneda 《Chemical record (New York, N.Y.)》2020,20(7):618-639
The development of density functional theory (DFT) functionals and physical corrections are reviewed focusing on the physical meanings and the semiempirical parameters from the viewpoint of data science. This review shows that DFT exchange‐correlation functionals have been developed under many strict physical conditions with minimizing the number of the semiempirical parameters, except for some recent functionals. Major physical corrections for exchange‐correlation function‐ als are also shown to have clear physical meanings independent of the functionals, though they inevitably require minimum semiempirical parameters dependent on the functionals combined. We, therefore, interpret that DFT functionals with physical corrections are the most sophisticated target functions that are physically legitimated, even from the viewpoint of data science. 相似文献
103.
Taishin Takamura Takuya Harada Tatsuro Furuta Takao Ikariya Shigeki Kuwata 《化学:亚洲杂志》2020,15(1):72-78
Synthesis and deprotonation reactions of half‐sandwich iridium complexes bearing a vicinal dioxime ligand were studied. Treatment of [{Cp*IrCl(μ‐Cl)}2] (Cp*=η5‐C5Me5) with dimethylglyoxime (LH2) at an Ir:LH2 ratio of 1:1 afforded the cationic dioxime iridium complex [Cp*IrCl(LH2)]Cl ( 1 ). The chlorido complex 1 undergoes stepwise and reversible deprotonation with potassium carbonate to give the oxime–oximato complex [Cp*IrCl(LH)] ( 2 ) and the anionic dioximato(2?) complex K[Cp*IrCl(L)] ( 3 ) sequentially. Meanwhile, twofold deprotonation of the sulfato complex [Cp*Ir(SO4)(LH2)] ( 4 ) resulted in the formation of the oximato‐bridged dinuclear complex [{Cp*Ir(μ‐L)}2] ( 5 ). X‐ray analyses disclosed their supramolecular structures with one‐dimensional infinite chain ( 1 and 2 ), hexagonal open channels ( 3 ), and a tetrameric rhomboid ( 4 ) featuring multiple intermolecular hydrogen bonds and electrostatic interactions. 相似文献
104.
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106.
Megumi Ban Michihisa Kyoto Akira Uedono Takao Kawano Shoichiro Tanigawa 《Journal of Polymer Science.Polymer Physics》1996,34(7):1189-1195
Free volume characteristics in three samples of monodisperse polystyrene were investigated by positron annihilation technique over a temperature range from 300 to 380 K. The number-average molecular weight of the samples ranged from 5730 to 1,524,000. The observed lifetime spectra were resolved into three components, where the longest lifetime, τ3 was associated with the pick-off annihilation of ortho-positronium (o-Ps) trapped by free volumes. The change of the temperature coefficient of τ3 was observed at around 350 K, at which the value of τ3 was a constant value of 2,3 ns for all specimens with different molecular weights. There was no discrete change of τ3 in intensity, which is corresponding to the number of free volumes. The size of free volume at glass transition was evaluated to be 0.l nm3. © 1996 John Wiley & Sons, Inc. 相似文献
107.
Chlorine isotope fractionation factor was determined by strongly basic anion-exchange chromatography with 0.1 mol/l HCl at 25 °C. The magnitude of the factor was calculated as a single-stage separation factor of 1.00030 with analytical precision of 0.00006 (1σ). The results showed that the lighter isotope () was preferentially fractionated into the resin phase, while the heavier one () enriched into the aqueous phase. This trend suggested that the hydrated Cl− ions in the aqueous phase were slightly more stable than the hydrated Cl− ions electrostatically interacting with the ion-exchange groups of the resin. 相似文献
108.
Koji Takagi Tsuyoshi Nakagawa Hidenobu Takao 《Journal of polymer science. Part A, Polymer chemistry》2010,48(1):91-98
Two arylenevinylene compounds bearing the cyano group at α‐position ( 6 ) and β‐position ( 9 ) from the dialkoxylphenylene unit were synthesized, in which the molecular termini were functionalized with 3‐bromocarbazole. The Suzuki coupling copolymerization of these compounds with 1,4‐bis[(3′‐bromocarbazole‐9′‐yl)methylene]‐2,5‐didecyloxybenzene and 9,9‐dihexylfluorene‐2,7‐bis(boronic acid) was carried out to obtain copolymers ( cp67 and cp97 ) containing the cyano‐substituted arylenevinylene fluorophore of 7 mol %. Model compounds ( 6 ′ and 9 ′) corresponding to the arylenevinylene fluorophore were also prepared. The UV spectra of copolymers resembled that of homopolymer hp with no arylenevinylene segment in both CHCl3 solution and thin film. The emission maxima of copolymers in CHCl3 (394 nm) agreed with that of homopolymer indicating that the emission bands originated from the carbazole‐fluorene‐carbazole segment. The emission maximum wavelength of copolymer cp67 in thin film (477 nm) indicated fluorescence from the cyano‐substituted arylenevinylene fluorophore because of the occurrence of fluorescence resonance electron transfer. In contrast, copolymer cp97 showed fluorescence at 528 nm to suggest the formation of a new emissive species such as a charge‐transfer complex (exciplex). © 2009 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 48: 91–98, 2010 相似文献
109.
Nine new secoiridoid glucosides from Jasminum nudiflorum 总被引:2,自引:0,他引:2
Takenaka Y Tanahashi T Taguchi H Nagakura N Nish T 《Chemical & pharmaceutical bulletin》2002,50(3):384-389
Phytochemical study of the leaves of Jasminum nudiflorum has led to the isolation of nine new secoiridoid glucosides, jasnudiflosides F-L (1-7), nudifloside D (8) and isooleoacteoside (9). The structures of these compounds were elucidated on the basis of chemical and spectroscopic evidence. 相似文献
110.
Sato S Komoto T Kanamaru Y Kawamoto N Okada T Kaiho T Mogi K Morimoto S Umehara N Koda T Miyashita A Sakamoto T Niino Y Oka T 《Chemical & pharmaceutical bulletin》2002,50(2):292-297
New muq-opioid receptor (MOR) agonists containing 4-hydroxypiperidine, piperidine and piperazine moieties were synthesized and evaluated to find a peripheral opioid analgesic. Among the synthesized compounds, 12-[1-[3-(N,N-dimethylcarbamoyl)-3,3-diphenylpropyl]-4-hydroxypiperidin-4-yl]phenoxy]acetic acid (8: SS620) having phenoxyacetic acid and 4-hydroxypiperidine moieties showed the highest agonist potency on the MOR in an isolated guinea-pig ileum preparation, and it also had selectivity to the human MOR expressed in Chinese hamster ovary (CHO)-K1 cells compared with the same types of delta- and kappa-opioid receptors (DOR and KOR). In addition, compound 8 showed a 10 times more potent MOR agonist activity than loperamide. Furthermore, compound 8 showed a peripheral analgesic activity in vivo screening on rat. 相似文献