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排序方式: 共有60条查询结果,搜索用时 15 毫秒
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Marco Bellagamba Luigi Bencivenni Lorenzo Gontrani Leonardo Guidoni Claudia Sadun 《Structural chemistry》2013,24(3):933-943
In this work, we report a multitechnique (energy-dispersive X-ray diffraction, computational methods, and FTIR spectroscopy) study of the tautomeric equilibrium of 1,2,3-triazole, one of the few small nitrogen-containing eterocycles liquid at room temperature. The T-2H form (C 2v symmetry) is found to be strongly favored in gas and solid phases, whereas the neat liquid gives diffraction patterns that can be interpreted satisfactorily with the structure functions calculated from some molecular dynamics results for both T-2H and T-1H tautomers, although the T-2H form gives a slightly better agreement. 相似文献
3.
C. Mennerat-Robilliard L. Guidoni K.I. Petsas P. Verkerk J.-Y. Courtois G. Grynberg 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》1998,1(1):33-45
All the bright optical lattices studied so far have been designed to obtain a circularly polarized light at the bottom of
the optical potential wells. This condition minimizes the departure rate of the atoms from the fundamental adiabatic surface
and permits an oscillating regime in a large range of parameters. We present here an experimental study of cesium atoms in
a three-dimensional optical lattice, where the light is linearly polarized at the bottom of the potential wells. Temperature
measurements and pump-probe spectroscopy give similar results for this lattice and for the conventional lin lin lattice (which have circular polarizations at the bottom of the wells) despite the fact that one lattice operates in
the jumping regime and the other in the oscillating regime. We study the behaviour of the two types of lattices in a longitudinal
magnetic field, with particular emphasis on the zero field and strong field regimes. The strong field situation is very simple
because the eigenstates are then almost pure Zeeman substates and the adiabatic and diabatic potential surfaces are identical.
The comparison between the zero-field and the high-field situations shows that the diabatic potentials are more appropriate
to account for experimental observations in the novel lattice.
Received: 9 October 1997 / Accepted: 6 November 1997 相似文献
4.
The first measurement of the absolute (e, 2e) five times differential cross section in coplanar symmetric conditions on He are reported. Incident energy is varied from 200 to 4000 eV in order to test different theoretical models. 相似文献
5.
We have measured the real space trajectory of the ultrafast magnetization dynamics in ferromagnetic metals induced by femtosecond optical pulses. Our approach allows the observation of the initial change of the modulus and orientation of the magnetization, occurring within a few hundreds of femtoseconds, as well as its subsequent precession and damping around the effective field. The role of the magnetocrystalline anisotropy shows up in the magnetization reorientation occurring during the electron-lattice relaxation. In addition, we propose a model which takes into account the initial demagnetization in the Bloch formalism describing the magnetization dynamics. 相似文献
6.
A new method to measure and analyze the time and spectrally resolved polarimetric response of magnetic materials is presented. It allows us to study the ultrafast magnetization dynamics of a CoPt3 ferromagnetic film. The analysis of the pump-induced rotation and ellipticity detected by a broad spectrum probe beam shows that magneto-optical signals predominantly reflect the spin dynamics in ferromagnets. 相似文献
7.
8.
Bovi D Mezzetti A Vuilleumier R Gaigeot MP Chazallon B Spezia R Guidoni L 《Physical chemistry chemical physics : PCCP》2011,13(47):20954-20964
Carotenoids are employed in light-harvesting complexes of dinoflagellates with the two-fold aim to extend the spectral range of the antenna and to protect it from radiation damage. We have studied the effect of the environment on the vibrational properties of the carotenoid peridinin in different solvents by means of vibrational spectroscopies and QM/MM molecular dynamics simulations. Three prototypical solvents were considered: cyclohexane (an apolar/aprotic solvent), deuterated acetonitrile (a polar/aprotic solvent) and methanol (a polar/protic solvent). Thanks to effective normal mode analysis, we were able to assign the experimental Raman and IR bands and to clarify the effect of the solvent on band shifts. In the 1500-1650 cm(-1) region, seven vibrational modes of the polyene chain were identified and assigned to specific molecular vibrations. In the 1700-1800 cm(-1) region a strong progressive down-shift of the lactonic carbonyl frequency is observed passing from cyclohexane to methanol solutions. This has been rationalized here in terms of solvent polarity and solute-solvent hydrogen bond interactions. On the basis of our data we propose a classification of non-equivalent peridinins in the Peridinin-Chlorophyll-Proteins, light-harvesting complexes of dinoflagellates. 相似文献
9.
Mattioli G Risch M Amore Bonapasta A Dau H Guidoni L 《Physical chemistry chemical physics : PCCP》2011,13(34):15437-15441
Ab initio molecular dynamics simulations of a recently proposed cobalt-based catalyst for water oxidation provide insight into the properties of protons at the water/oxide interface. Calculations and X-ray absorption spectroscopy data indicate a cubane-like structure of the catalyst, support the occurrence of protonated μ(2)-O atoms, suggest deprotonated μ(3)-O atoms and the presence of sites promoting low-barrier hydrogen bonds. 相似文献
10.