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1.
Scoles L Sterenberg BT Udachin KA Carty AJ 《Chemical communications (Cambridge, England)》2002,(4):320-321
Reaction of the aminophosphinidene complex [Ru5(CO)15(mu 4-PNPri2)] 1 with [PPN][NO2] (PPN = Ph3P=N=PPh3) led to the mixed nitrosyl/phosphinidene cluster complex [PPN][Ru5(CO)13(mu-NO)(mu 4-PNPri2)] 2 which is transformed into the novel nitrene/phosphinidene cluster [Ru5(CO)10(mu-CO)2(mu 3-CO)(mu 4-NH)(mu 3-PNPri2)] 3 via treatment with triflic acid. 相似文献
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F. Stienkemeier J. Higgins W. E. Ernst G. Scoles 《Zeitschrift für Physik B Condensed Matter》1995,98(3):413-416
Large helium clusters, ranging in size from a few hundred to several thousand atoms, are produced in a nozzle expansion. Combining this source with a pick-up scattering cell in which the clusters can be seeded with chromophores allows us to probe the influence of the helium environment on the atoms and molecules attached to the clusters. Using an alkali as chromophore we recorded laser induced fluorescence spectra of Na atoms and molecules attached to helium clusters. Apart from the spectrum of the Na monomer, we have found spectroscopic bands which can unambiguous be assigned to two bound Na atoms. The first of this bands is due to 11
+
(A) 11
g
+
(X) excitations of the covalently bound singlet Na2 molecule while the second is due to 13
g
+
13
+
excitations for the van der Waals bound triplet Na2 dimer. Both bands have been vibrationally resolved. Furthermore we found very large fluorescence intensities in the region 605–635 nm which are likely due to the excitation of a species containing three Na atoms attached to a helium cluster. 相似文献
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D. J. Levandier M. Mengel R. Pursel J. McCombie G. Scoles 《Zeitschrift für Physik D Atoms, Molecules and Clusters》1988,10(2-3):337-346
A molecular beam of medium-large argon clusters containing CH3F has been characterized by means of photoevaporation infrared laser spectroscopy at several stagnation pressures and CH3F concentrations. Bolometric detection and line tunable, isotopically substituted CO2 lasers have been used. Two spectral features have been assigned to the CH3F monomer and the dependence of their shifts and widths on stagnation pressure has been measured. Concentration studies have allowed us to identify the features produced by the CH3F dimer and to recognize tentatively the effect of the higher polymers. CH3F has also been deposited on the clusters surface by means of the previously introduced pick-up technique. In contrast to the results obtained with the SF6/Ar combination, no peaks could be associated with surface adsorbed species. The CH3F/Ar clusters thus characterized have been made to interact with a side flux of HCl and the ensuing complex-forming reaction has been studied. Both the decrease in the CH3F monomer absorption intensity, and the extra absorption due to the newly formed (CH3F-HCl) complexes, have been used to monitor this dynamic process, which has been found to proceed to completion in a time shorter than 100 μs even for the large clusters (approx. 103 argon atoms) produced by our source at the largest viable stagnation pressure. 相似文献
6.
Martin-Redondo MP Scoles L Sterenberg BT Udachin KA Carty AJ 《Journal of the American Chemical Society》2005,127(14):5038-5039
Reaction of [Pt(CH3)2(COD)] (COD = 1,5-cyclooctadiene) with Ph2PCCCCPPh2 led to a mixture of [{Pt(CH3)2}2(mu-Ph2PC4PPh2)2] (1) and [{Pt(CH3)2}3(mu-Ph2PC4PPh2)3] (2). Reaction of [PtCl2(COD)] with Ph2PCCCCPPh2 led to a mixture of the thermally unstable compounds [{PtCl2}2(mu-Ph2PC4PPh2)2] (3) and [{PtCl2}3(mu-Ph2PC4PPh2)3] (4) which transform into [{PtMe2}2{mu-C8(PPh2)4}] (5) and [{PtMe2}3{mu3-C12(PPh2)6}] (6) containing 8-membered diene-diyne and 12-membered triene-triyne rings, respectively. Compound 2 can be converted to [{PtMe2}3{C12(PPh2)6}] (7) by heating with CuCl at 80 degrees C, while 1 can be heated without significant cycloaddition. 相似文献
7.
We report a density functional theory study of the electronic properties of n-alkanedithiols (CnS2, with n=4, 8 and 12) sandwiched between two Au(111) infinite slab electrodes. We investigate the influence of the distance between the two electrodes and of the molecular chain length, tilt angle, and coverage on the local density of states (LDOS) at the Fermi energy (E(f)). We find that the (small) value of the LDOS at Ef near the center of the molecular wires--a quantity that is related to the tunneling current--is mainly determined by the length n of the alkane chains: it originates from the tails of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) which are broadened by the interaction with the electrodes, and decays exponentially with the length of the molecular wire. This opens a nonresonance tunneling channel for charge transport at small bias voltages. While the length of the hydrocarbon chain appears to be the determining factor, the tilt angle of the molecular wires with respect to the electrode surfaces, and therefore the distance between these, has a small influence on the LDOS at the center of the molecule, while the effect of coverage can be ignored. The picture which emerges from these calculations is totally consistent with a through-bond tunneling mechanism. 相似文献
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10.
Mazzarello R Cossaro A Verdini A Rousseau R Casalis L Danisman MF Floreano L Scandolo S Morgante A Scoles G 《Physical review letters》2007,98(1):016102
We have investigated the controversy surrounding the (sqrt[3] x sqrt[3]) R30 degrees structure of self-assembled monolayers of methylthiolate on Au(111) by first principles molecular dynamics simulations, energy and angle resolved photoelectron diffraction, and grazing incidence x-ray diffraction. Our simulations find a dynamic equilibrium between bridge site adsorption and a novel structure where 2 CH3S radicals are bound to an Au adatom that has been lifted from the gold substrate. As a result, the interface is characterized by a large atomic roughness with both adatoms and vacancies. This result is confirmed by extensive photoelectron and grazing incidence x-ray diffraction measurements. 相似文献