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1.
2.
The angular variations of the five-fold differential cross section obtained by using different wave functions of helium are
compared with experimental data. It is found that in the coplanar geometry two kinematical arrangements, (i) equal energy
sharing between the two ejected electrons with one of them ejected along the momentum transfer direction and the other along
varying direction and (ii) the Bethe ridge condition with fixed sum of ejected electron energies and varying angle between
them, are very sensitive to e-e correlations contained in the target wave function. This comparison has been used to show
that open-shell class of wave functions better incorporate e-e correlations than the closed-shell class. 相似文献
3.
Triplet state transitions of the photosynthetic bacteria Rhodospirillum Rubrum, Rhodopseudomonas Spheroides and Chromatium Vinosum in chemically reduced preparations have been observed by zero-field optical detection of magnetic resonance at 2 K. For each bacterial preparation two sharp, structureless, zero-field EPR transitions were observed as microwave-induced decreases in the fluorescence intensity of the frozen cellular preparations. The depopulating rate constants for the spin sublevels of the triplet states observed in R Rubrum and R Spheroides were also measured. The similarities of the triplet state frequencies, spectral features and intersystem crossing rates suggest a common structure for the reaction centers in the photosynthetic bacteria. 相似文献
4.
Optical detection of magnetic resonance experiments on the triplet state of zinc-substitution chlorophyll b has provided the zero-field splitting and depopulation rate constants for the individual triplet spin sublevels. The zero field triplet state EPR transitions could be observed at 890 MHz and 1085 MHz as either microwave-induced changes in the fluorescence intensity or in the intensity of S0 → Sn absorption. The dynamics experiments show that intersystem crossing from the Zn chlorophyll b triplet state into the ground state occurs primarily through the out-of-plane (lowest energy) spin sublevel. 相似文献
5.
Tuma J Connors WH Stitelman DH Richert C 《Journal of the American Chemical Society》2002,124(16):4236-4246
Quinolones are gyrase inhibitors that are widely used as antibiotics in the clinic. When covalently attached to oligonucleotides as 5'-acylamido substituents, quinolones were found to stabilize duplexes of oligonucleotides against thermal denaturation. For short duplexes, such as qu-T*GCGCA, where qu is a quinolone residue and T is a 5'-amino-5'-deoxythymidine residue, an increase in the UV melting point of up to 27.8 degrees C was measured. The stabilizing effect was demonstrated for all quinolones tested, namely nalidixic acid, oxolinic acid, pipemidic acid, cinoxacin, norfloxacin, and ofloxacin. The three-dimensional structure of (oa-T*GCGCA)2, where oa is an oxolinic acid residue, was solved by two-dimensional NMR spectroscopy and restrained molecular dynamics. In this complex, the oxolinic acid residues disrupt the terminal T1:A6 base pairs and stack on the G2:C5 base pairs. The displaced adenosine residues bind in the minor groove of the core duplex, while the thymidine residues pack against the oxolinic acid residues. The "molecular cap" thus formed fits tightly on the G:C base pairs, resulting in increased base-pairing fidelity, as demonstrated in UV melting experiments with the sequence oa-T*GGTTGAC and target strands containing a mismatched nucleobase. The structure of the "molecular cap" with its disrupted terminal base pair may also be helpful for modeling how quinolones block re-ligation of DNA strands in the active site of gyrases. 相似文献
6.
The observation of a photoexcited EPR signal from the lowest Stark level of the 4I state of Nd+3 in LaCl3 crystal at 4.2°K suggests a rapid relaxation process within the infrared states of Nd+3. 相似文献
7.
The aim of this brief report is to study the behaviour of sheath structure in a multi-component plasma with dust-neutral collisions.
The plasma consists of electrons, ions, micron size negatively charged dust particles and neutrals. The sheath-edge potential
and sheath width are calculated for collisionally dominated sheath. Comparison of collisionless and collisionally dominated
sheath are made. 相似文献
8.
Ashwani Vij Patrick J. Connors Bobbie L. Rice Robert L. Kirchmeier Jean'ne M. Shreeve 《无机化学与普通化学杂志》1995,621(11):1865-1874
In this study, both monofunctional and bifunctional nucleophiles, as well as the electrophile FNO, are reacted with perfluorovinyl amines. The perfluorovinyl amines CF?CF2 and CF?CF2 have been reacted with dimethylamine and diethylamine in the presence of small amounts of water to give CHFC(O)N(CH3)2 ( 1 ), CHFC(O)N(CH3)2 ( 2 ), and CHFC(O)N(C2H5)2 ( 3 ). With perfluorovinyl pyrrolidine and perfluorovinyl morpholine, ethanolamine gives the cyclized products CHF ( 4 ) and CHF ( 5 ), respectively. Reaction of the vinyl amines with (CH3)3SiOCH2CF3 in the presence of catalytic amounts of CsF results in the formation of cis- ( 6 ) and trans- ( 7 ) CF?CF(OCH2CF3) and cis- ( 8 ) and trans- ( 9 ) CF?CF(OCH2CF3). The electrophile FNO reacts slowly with perfluorovinyl pyrrolidine and perfluorovinyl morpholine, and more rapidly with (CF3)3CCF?CF2 to give CF(NO)CF3 ( 10 ), CF(NO)CF3 ( 11 ) and (CF3)3CF(NO)CF3 ( 12 ), respectively. Single crystal X-ray analysis is used to confirm the identity of the product obtained from the controlled hydrolysis of the sultone of perfluorovinyl pyrrolidine as the sulfonic acid anhydride C(O)CF2OS(O)2OCF2C(O) ( 13 ). The X-ray crystal structure of perfluorosuccinic acid monohydrate ( 14 ), which is obtained when the perfluorovinyl pyrrolidine sultone is hydrolyzed in excess water, is also reported for the first time. 相似文献
9.
The standard free energy change for complex formation is written as a sum of effects arising from solvent-solvent interactions (the general medium effect), solvent-solute interactions (the solvation effect), and solute-solute interactions (the intersolute effect). The general medium effect is given by gA(–o), where g is a curvature correction factor to the solvent surface tension , A is the change in surface area as the two solvent cavities containing the substrate (naphthalene) and ligand (theophylline) collapse into a single cavity containing the complex, and o is the value of surface tcnsion at which there is no net solvophobic interaction; is defined to be the value appropriate to the equilibrium mean solvation shell composition. The solvation effect is modeled by equilibrium stoichiometric formation of solvated species. All data are related to the fully aqueous system to give MGo, the solvent effect on the free energy change, as an explicit function of solvent composition. Solvent effects on bimolecular association are related to solvent effects on the solubilities of the substrate, ligand, and complex. Approximation methods for interpreting such systems are described and are applied to the naphthalene-theophylline complex. It is shown that complex destabilization in mixed aqueous-organic solvents (relative to the fully aqueous system) may receive contributions from both the general medium and the solvation effects, and that these contributions can be quantitatively estimated. 相似文献
10.
Jeffrey Connors 《Numerical Methods for Partial Differential Equations》2010,26(6):1328-1350
This report performs a complete analysis of convergence and rates of convergence of finite element approximations of the Navier–Stokes‐α (NS‐α) regularization of the NSE, under a zero‐divergence constraint on the velocity, to the true solution of the NSE. Convergence of the discrete NS‐α approximate velocity to the true Navier–Stokes velocity is proved and rates of convergence derived, under no‐slip boundary conditions. Generalization of the results herein to periodic boundary conditions is evident. Two‐dimensional experiments are performed, verifying convergence and predicted rates of convergence. It is shown that the NS‐α‐FE solutions converge at the theoretical limit of O(h2) when choosing α = h, in the H1 norm. Furthermore, in the case of flow over a step the NS‐α model is shown to resolve vortex separation in the recirculation zone. © 2009 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq, 2010 相似文献