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91.
A new effective interaction potential between an electron and a hole of a Mott-Wannier exciton in a polarizable medium is derived following a procedure similar to that of Haken. The variational polaron wave functions used are those first proposed by Haga. Using this effective interaction potential the values of the binding energy of an exciton are calculated variationally in several polar crystals. The values thus obtained agree very well with those derived from experimental measurements and are always considerably smaller than those calculated using Haken's potential. 相似文献
92.
The B-A system of CP molecule has been reinvestigated. The rotational structures in the (0, 0) and (1, 1) bands have been
photographed in the second order of a 10.6 m grating with 25μ slit width. The molecular constants have been determined using a weighted least squares fit computer program. It is found
that the spin-splitting constant in the B-state is negative and not positive as reported by previous workers. An accurate
value ofα in the A-state could be determined. The present analysis also suggests that the spin-splitting constant in the ground state
of CP should be positive, hence the assignment of theR
1 andR
2 orP
1 andP
2 branches in the B-X system of CP by Barwaldet al should be interchanged. 相似文献
93.
Gram‐Scale Synthesis of Chiral Cyclopropane‐Containing Drugs and Drug Precursors with Engineered Myoglobin Catalysts Featuring Complementary Stereoselectivity
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Dr. Priyanka Bajaj Dr. Gopeekrishnan Sreenilayam Dr. Vikas Tyagi Prof. Dr. Rudi Fasan 《Angewandte Chemie (International ed. in English)》2016,55(52):16110-16114
Engineered hemoproteins have recently emerged as promising systems for promoting asymmetric cyclopropanations, but variants featuring predictable, complementary stereoselectivity in these reactions have remained elusive. In this study, a rationally driven strategy was implemented and applied to engineer myoglobin variants capable of providing access to 1‐carboxy‐2‐aryl‐cyclopropanes with high trans‐(1R,2R) selectivity and catalytic activity. The stereoselectivity of these cyclopropanation biocatalysts complements that of trans‐(1S,2S)‐selective variants developed here and previously. In combination with whole‐cell biotransformations, these stereocomplementary biocatalysts enabled the multigram synthesis of the chiral cyclopropane core of four drugs (Tranylcypromine, Tasimelteon, Ticagrelor, and a TRPV1 inhibitor) in high yield and with excellent diastereo‐ and enantioselectivity (98–99.9% de; 96–99.9% ee). These biocatalytic strategies outperform currently available methods to produce these drugs. 相似文献
94.
Dr. Kritika Bajaj Dr. Sarah A. Andres Dr. Dillon T. Hofsommer Okolocha Chekwube Michael Dr. Mark S. Mashuta Prof. Paula J. Bates Prof. Robert M. Buchanan Prof. Craig A. Grapperhaus 《欧洲无机化学杂志》2023,26(34):e202300447
A series of isomeric bis(alkylthiocarbamate) copper complexes have been synthesized, characterized, and evaluated for antiproliferation activity. The complexes were derived from ligand isomers with 3-methylpentyl (H2L2) and cyclohexyl (H2L3) backbone substituents, which each yield a pair of linkage isomers. The thermodynamic products CuL2a/3a have two imino N and two S donors resulting in three five-member chelate rings (555 isomers). The kinetic isomers CuL2b/3b have one imino and one hydrazino N donor and two S donors resulting in four-, six-, and five-member rings (465 isomers). The 555 isomers have more accessible CuII/I potentials (E1/2=−811/−768 mV vs. ferrocenium/ferrocene) and lower energy charge transfer bands than their 465 counterparts (E1/2=−923/-854 mV). Antiproliferation activities were evaluated against the lung adenocarcinoma cell line (A549) and nonmalignant lung fibroblast cell line (IMR-90) using the MTT assay. CuL2a was potent (A549EC50=0.080 μM) and selective (IMR-90EC50/A549EC50=25) for A549. Its linkage isomer CuL2b had equivalent A549 activity, but lower selectivity (IMR-90EC50/A549EC50=12.5). The isomers CuL3a and CuL3b were less potent with A549EC50 values of 1.9 and 0.19 M and less selective with IMR-90EC50/A549EC50 ratios of 2.3 and 2.65, respectively. There was no correlation between reduction potential and A549 antiproliferation activity/selectivity. 相似文献
95.
Sutradhar N Sinhamahapatra A Pahari SK Bajaj HC Panda AB 《Chemical communications (Cambridge, England)》2011,47(27):7731-7733
We report the synthesis of peroxo titanium carbonate complex solution as a novel water-soluble precursor for the direct synthesis of layered protonated titanate at room temperature. The synthesized titanates showed excellent removal capacity for Pb(2+) and methylene blue. Based on experimental observations, a probable mechanism for the formation of protonated layered dititanate sheets is also discussed. 相似文献
96.
Pahari SK Sinhamahapatra A Sutradhar N Bajaj HC Panda AB 《Chemical communications (Cambridge, England)》2012,48(6):850-852
Ultra-narrow wurtzite ZnS quantum wires assembled towards an onion slice shape are synthesized in water using a simple hydrothermal procedure. Wires are formed through an oriented attachment mechanism from wurtzite ZnS spherical particles. Strong confinement effect originated from the narrow width was observed and holds promise for use in broad optoelectronic device application. 相似文献
97.
Dabbawala AA Sudheesh N Bajaj HC 《Dalton transactions (Cambridge, England : 2003)》2012,41(10):2910-2917
Two different chitosan supported palladium based catalysts were prepared, wherein dispersed palladium nanoparticles were obtained via chemical reduction supported on chitosan (Pd/CTS) and amine functionalized modified chitosan (Pd/AFCTS). The catalytic activity of the Pd-based catalysts, Pd/CTS and Pd/AFCTS, were assessed in the hydrogenation of styrene oxide to 2-phenyl ethanol. Both Pd-based catalysts enhanced the formation of the desired 2-phenyl ethanol in contrast to a conventional Pd/C catalyst without the assistance of inorganic or organic base. A considerable influence on the conversion and selectivity was observed in the case of Pd/AFCTS, consisting of palladium nanoparticles stabilized and dispersed on amine-functionalized chitosan matrix, affording complete conversion of styrene oxide with 98% selectivity to 2-phenyl ethanol. The catalyst Pd/AFCTS has also been recycled without significant loss of activity and selectivity. 相似文献
98.
JPC – Journal of Planar Chromatography – Modern TLC - 相似文献
99.
100.
A novel microresonator operating on the principle of nonlinear modal interactions due to autoparametric 1:2 internal resonance is introduced. Specifically, an electrostatically actuated pedal-microresonator design, utilizing internal resonance between an out-of-plane torsional mode and a flexural in-plane vibrating mode is considered. The two modes have their natural frequencies in 1:2 ratio, and the design ensures that the higher frequency flexural mode excites the lower frequency torsional mode in an autoparametric way. A Lagrangian formulation is used to develop the dynamic model of the system. The dynamics of the system is modeled by a two degrees of freedom reduced-order model that retains the essential quadratic inertial nonlinearities coupling the two modes. Retention of higher-order model for electrostatic forces allows for the study of static equilibrium positions and static pull-in phenomenon as a function of the bias voltages. Then for the case when the higher frequency flexural mode is resonantly actuated by a harmonically varying AC voltage, a comprehensive study of the response of the microresonator is presented and the effects of damping, and mass and structural perturbations from nominal design specifications are considered. Results show that for excitation levels above a threshold, the torsional mode is activated and it oscillates at half the frequency of excitation. This unique feature of the microresonator makes it an excellent candidate for a filter as well as a mixer in RF MEMS devices. 相似文献