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41.
Ivona R. Radović Mirjana Lj. KijevčaninEmila M. Djordjević Bojan D. DjordjevićSlobodan P. Šerbanović 《Fluid Phase Equilibria》2008
The densities of binary mixtures of (1-propanol, or 1-butanol, or 2-butanol, or 1-pentanol + chlorobenzene) have been measured at temperatures 288.15, 293.15, 298.15, 303.15, 308.15 and 313.15 K and atmospheric pressure while for the system (2-methyl-2-propanol + chlorobenzene) measurements were performed at the same pressure and temperatures 303.15, 308.15, 313.15, 318.15 and 323.15 K. All measurements were performed by means of an Anton Paar DMA 5000 digital vibrating-tube densimeter. Excess molar volumes VE were determined and fitted by the Redlich–Kister equation. It was observed that in all cases, VE increase with rising of temperature. The values of limiting excess partial molar volumes have been calculated, as well. The obtained results have been analysed in terms of specific molecular interactions present in these mixtures taking into consideration effect of the chain length of alcohols, degree of branching in the chain, relative position of the alkyl and OH group in an alcohol and the effect of temperature on them. In addition, the correlation of VE binary data was performed with the Peng–Robinson–Stryjek–Vera cubic equation of state (PRSV CEOS) coupled with the van der Waals (vdW1) and CEOS/GE mixing rule introduced by Twu, Coon, Bluck and Tilton (TCBT). Also, the possibility of cross prediction between VE and VLE by means of the NRTL parameters of GE model available in literature and those incorporated in the TCBT model was tested. 相似文献
42.
Mario Barbatti Giovanni Granucci Maurizio Persico Matthias Ruckenbauer Mario Vazdar Mirjana Eckert-Maksi Hans Lischka 《Journal of photochemistry and photobiology. A, Chemistry》2007,190(2-3):228
The great importance of ultrafast phenomena in photochemistry and photobiology has made dynamics simulations an essential methodology in these areas. In this work, we present the Newton-X program package containing a new implementation of a direct dynamics approach to perform adiabatic (Born–Oppenheimer) and nonadiabatic simulations. The nonadiabatic dynamics is based on Tully's surface hopping approach. The program has been developed with the aim of (1) to create a flexible tool to be used in connection with a multitude of third-party electronic-structure program packages and (2) to provide the most common options for excited-state dynamics simulations. Benchmark calculations on the nonadiabatic dynamics are presented for the methaniminium, butatriene and pentadieniminium cations. The simulation of UV absorption spectra is presented for the methaniminium cation and pyrazine. 相似文献
43.
Stajic M Persky L Hadar Y Friesem D Duletic-Lausevic S Wasser SP Nevo E 《Applied biochemistry and biotechnology》2006,128(1):87-96
Copper (Cu2+) and manganese (Mn2+) ions influenced laccase (Lac) and peroxidase production in Pleurotus eryngii, Pleurotus ostreatus, and Pleurotus pulmonarius. In P. eryngii, the optimum Cu2+ concentration for Lac production was 1 mM and for peroxidases 10mM, and Mn2+ concentration of 5mM led to peaks of Lac and peroxidase activity. In P. ostreatus HAI 493, the highest level of Lac activity was at Cu2+ concentrations of 1 and 10 mM and Mn2+ concentration of 1mM, respectively. The absence of Cu2+ and Mn2+ caused the highest levels of peroxidase production. In P. ostreatus HAI 494, the highest level of Lac activity was at a Cu2+ concentration of 5 mM and at Mn2+ concentration of 1 mM, respectively. High levels of peroxidase activity were found in the medium without and with 1mM Cu2+, and at 1 and 5 mM Mn2+, respectively. In P. pulmonarius, the highest Lac activity was found in the presence of 5 mM Cu2+ and 5 mM Mn2+, respectively. The absence of Cu2+ and Mn2+ as well as their presence at a concentration of 1 mM led to the peaks of peroxidase activities. 相似文献
44.
Energy-efficiency and green communications have become dominant topics related to access network implementation, since their energy consumption is a major contributor of energy consumption within the Internet. In this paper we analyze an implementation of a new energy-efficient dynamic bandwidth algorithm in a four-channel Wavelength Division Multiplexing Ethernet Passive Optical Network (WDM EPON), in which wavelength assignments take place per service class and not per Optical Network Unit (ONU). The improved Dynamic Bandwidth Allocation (DBA) algorithm introduces independent bandwidth allocation for each wavelength, which results in efficient bandwidth management and utilization. The mathematical model for new DBA algorithm is described, as are changes to the Multi-Point Control Protocol (MPCP), necessary for its implementation. The obtained results show that the redefined DBA algorithm improves Key Performance Indicators (KPIs) and as a consequently enables delivery of enhanced services to end-users. Significant energy savings are achieved without Quality of Service (QoS) degradation, and without network or equipment architecture changes. 相似文献
45.
Klukovich HM Kean ZS Black Ramirez AL Lenhardt JM Lin J Hu X Craig SL 《Journal of the American Chemical Society》2012,134(23):9577-9580
Epoxidized polybutadiene and epoxidized polynorbornene were subjected to pulsed ultrasound in the presence of small molecules capable of being trapped by carbonyl ylides. When epoxidized polybutadiene was sonicated, there was no observable small molecule addition to the polymer. Concurrently, no appreciable isomerization (cis to trans epoxide) was observed, indicating that the epoxide rings along the backbone are not mechanically active under the experimental conditions employed. In contrast, when epoxidized polynorbornene was subjected to the same conditions, both addition of ylide trapping reagents and net isomerization of cis to trans epoxide were observed. The results demonstrate the mechanical activity of epoxides, show that mechanophore activity is determined not only by the functional group but also the polymer backbone in which it is embedded, and facilitate a characterization of the reactivity of the ring-opened dialkyl epoxide. 相似文献
46.
Danijela Ili?Ivan Damljanovi? Mirjana Vuki?evi?Volker Kahlenberg Gerhard LausNiko S. Radulovi? Rastko D. Vuki?evi? 《Tetrahedron letters》2012,53(45):6018-6021
The reaction of 1-ferrocenyl-3-thiabutan-1-one with methyl iodide in acetonitrile at room temperature gave dimethyl(2-oxo-2-ferrocenylethyl)sulfonium iodide, which was characterized by spectral data (1H NMR, 13C NMR, IR) and X-ray crystallographic analysis. This salt reacted with a base (sodium hydride) in acetonitrile yielding a stabilized ylide—dimethylsulfonium ferrocenoylmethylide, which was in turn, submitted to reactions with seven conjugated enones. The obtained results showed that this methodology is potentially a new and useful approach to ferrocene-containing cyclopropanes. 相似文献
47.
Jovana Francuz Bojana Srećo Mirjana Popsavin Goran Benedeković Vladimir Divjaković Vesna Kojić Gordana Bogdanović Agneš Kapor Velimir Popsavin 《Tetrahedron letters》2012,53(14):1819-1822
Treatment of 7-O-benzoyl-5-O-benzyl derivatives of (+)-goniofufurone or 7-epi-(+)-goniofufurone with titanium(IV) chloride or titanium(IV) bromide gave 7-chloro and 7-bromo-7-deoxy-goniofufurone mimics as the main reaction products along with minor amounts of the corresponding C-7 epimers. An unexpected cyclized product, benzoxepane 8 was isolated in some cases. 相似文献
48.
Irena ?aleta Ana ?iko? Dinko ?iher Ivica ?ilovi? Marko Duk?i Dubravka Gembarovski Ivan Grgi?evi? Mirjana Bukvi? Kraja?i? Darko Fili? Dubravka Matkovi?-?alogovi? Ivica Malnar Sulejman Alihod?i? 《Structural chemistry》2012,23(6):1785-1796
Macrolide aglycons (E)-9-hydroxyimino-6-O-methylerythronolide A (4), 9a-aza-9-deoxo-9,9-dihydro-9a,11-O-dimethyl-9a-homoerythronolide A (5) and 9a-aza-9-deoxo-9,9-dihydro-9a-homoerythronolide A (6) were prepared by multistep syntheses. A conformational study of these new macrolide aglycons was performed using single crystal X-ray crystallography to gain information about the solid state, while a combination of NMR spectroscopy and molecular modelling was employed to study the solution structures. The crystal structures were found to be stabilised by a complex network of hydrogen bonds and van der Waals interactions. To some extent, the same building motif of infinite molecular chains held together by O?CH···O hydrogen bonds was present in the crystal structure of all three compounds. Thorough analysis and comparison of the obtained solid state structures with their solution counterparts showed no significant differences between them, confirming the constrained flexibility of the macrocyclic ring. Moreover, in all three compounds, in both solution and solid state, the macrolactone ring adopts energetically more favoured folded-out conformations. 相似文献
49.
Pance Naumov Mirjana Ristova Michael G. B. Drew Seik Weng Ng 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(9):e372-e373
In the title compound, [Ni(C2H3O)2(C3H4N2)4], the Ni atom is coordinated centrosymmetrically by four N and two O atoms in an octahedral coordination [Ni—N = 1.986 (3) and 2.054 (3) Å; Ni—O = 2.697 (3) Å]. The O atoms of the acetate anions form hydrogen bonds to adjacent imidazole moieties, with the free O atom forming a somewhat shorter bond [N?O = 2.679 (3) and 2.870 (4) Å]. The hydrogen bonds give rise to a two‐dimensional layer structure. 相似文献
50.
Radomir Konjevic Dragouub Grubii Mirjana Nekovi 《Photochemistry and photobiology》1987,45(S1):821-824
Abstract. The phototropic response of norflurazon-treated mung bean seedlings has been studied to evaluate the possible role of carotenoids, carotenoid-derived growth substances, or other factors in the perception/reaction system. Phototropism was slowed significantly in plants grown in white and blue light in the presence of norflurazon. This effect was evident in norflurazon-bleached seedlings, as well as in those whose pigment system was not affected, due to a shorter period of herbicide action. The possible modes of norflurazon action are discussed. 相似文献