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排序方式: 共有89条查询结果,搜索用时 31 毫秒
71.
Yeong Ryeon Kim Hyoung Jin Lee Seihwan Kim In-Seuck Jeung 《Proceedings of the Combustion Institute》2013,34(2):2057-2064
Hydrogen is known as one of the green energy sources for fuel cells and hydrogen-fueled cars in the next generation. The storage of high-pressure hydrogen gas conditions is preferred to its storage in cryogenic liquid state. However, cases of unidentified self-ignitions were reported, notably when the high-pressure hydrogen gas suddenly leaked out. Only a few of numerical simulations have shown visually the processes of the self-ignition inside a tube. This paper presents a flow visualization study to investigate the self-ignition mechanism in a test tube i.e. how the ignition process is initiated and the flame propagates. In addition to visualization, measurement of a number of pressure and light sensors installed in the tube supported the analysis of the self-ignition and flame propagation. The test result showed that self-ignition takes place at the boundary layer behind the front center of mixing zone at first, and the flame propagates to the front of mixing zone and tail of the mixing zone along the boundary layer. It showed that self-ignition is accompanied with complex mixing induced by shock interaction with the mixing front. It is also suggested that the self-ignition boundary has a certain critical threshold of static pressure at the boundary layer, based on various burst pressures of hydrogen. 相似文献
72.
Background
The conventional solution-phase Chemical Cleavage of Mismatch (CCM) method is time-consuming, as the protocol requires purification of DNA after each reaction step. This paper describes a new version of CCM to overcome this problem by immobilizing DNA on silica solid supports. 相似文献73.
The lowest states of the calcium atom as a two-electron system have been studied using a non-empirical pseudopotential, valence CI, and perturbative valence—core correlation. The lowest three 2Σ+ states and the lowest 2Π state of calcium hydride have also been studied. The precision and the limitations of the perturbative valence—core correlation method based on the valence—core separability are illustrated. 相似文献
74.
Gwang-Hi Jeung 《Theoretical chemistry accounts》2006,116(4-5):450-455
A new first-order method is proposed to improve the potential energy of the polar molecules. The nature of the polar bonding is illustrated by some examples, LiF, LiO, LiH, ScO, and AlO molecules, covering from strong to weak ionic cases. A simple first-order correction method using the dipole moment or the effective charge, and the experimental and theoretical ionisation potentials and electron affinities is explained. Application of this method to those molecules improves remarkably the spectroscopic constants. This method can be easily extended to polyatomic cases involving a polar bonding between an electropositive moiety (electron donor) and an electronegative functional group (electron acceptor). 相似文献
75.
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77.
Collision and adsorption of hydrogen with high incident kinetic energies on a single-walled boron nitride (BN) nanotube have been investigated. Molecular-dynamics (MD) simulations indicate that at incident energies below 14 eV hydrogen bounces off the BN nanotube wall. On the other hand, at incident energies between 14 and 22 eV each hydrogen molecule is dissociated at the exterior wall to form two hydrogen atoms, but only one of them goes through the wall. However, at the incident energies between 23 and 26 eV all of the hydrogen atoms dissociated at the exterior wall are found to be capable of going inside the nanotube and then to recombine to form hydrogen molecules inside the nanotube. Consequently, it is determined that hydrogen should have the incident energy >22 eV to go inside the nanotube. On the other hand, we find that the collisions using the incident energies >26 eV could result in damaging the nanotube structures. In addition our MD simulations find that hydrogen atoms dissociated at the wall cannot bind to either boron or nitrogen atoms in the interior wall of the nanotube. 相似文献
78.
Kim JG Waltz KM Garcia IF Kwiatkowski D Walsh PJ 《Journal of the American Chemical Society》2004,126(39):12580-12585
A simple procedure is reported for the catalytic asymmetric allylation of ketones, utilizing titanium tetraisopropoxide, BINOL, 2-propanol additive, and tetraallylstannane as allylating agent. A variety of ketone substrates, including acetophenone derivatives and alpha,beta-unsaturated cyclic enones, reacted to form tertiary homoallylic alcohols in good yields (67-99%) and with high levels of enantioselectivity (generally >80%). A novel one-pot enantioselective allylation/diastereoselective epoxidation has also been introduced. Thus, upon completion of the allyl addition to conjugated cyclic enones, 1 equiv of tert-butyl hydroperoxide is added and the directed epoxidation of the allylic double bond ensues to afford the epoxy alcohol with high diastereoselectivity. 相似文献
79.
M GH SARYAZDI 《Pramana》2017,88(3):46
Mathieu equation is a well-known ordinary differential equation in which the excitation term appears as the non-constant coefficient. The mathematical modelling of many dynamic systems leads to Mathieu equation. The determination of the locus of unstable zone is important for the control of dynamic systems. In this paper, the stable and unstable regions of Mathieu equation are determined for three cases of linear and nonlinear equations using the homotopy perturbation method. The effect of nonlinearity is examined in the unstable zone. The results show that the transition curves of linear Mathieu equation depend on the frequency of the excitation term. However, for nonlinear equations, the curves depend also on initial conditions. In addition, increasing the amplitude of response leads to an increase in the unstable zone. 相似文献
80.
The 7Li2 51Σg+ and 61Σg+ states have been studied both experimentally and theoretically. Vibrational levels v=1-26 of the 51Σg+ state and v=2-14 of the 61Σg+ state were observed using pulsed optical-optical double resonance technique. The 51Σg+ state has an unusual potential energy curve with a shelf near v=11. Dunham coefficients for the v=0-9 levels of the 51Σg+ state have been obtained. RKR potential energy curves of these two were generated. Ab initio potentials are in good agreement with the RKR potentials. 相似文献