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1.
Solvent Influence on Cellulose 1,4‐β‐Glycosidic Bond Cleavage: A Molecular Dynamics and Metadynamics Study
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Claudia Loerbroks Eliot Boulanger Prof. Dr. Walter Thiel 《Chemistry (Weinheim an der Bergstrasse, Germany)》2015,21(14):5477-5487
We explore the influence of two solvents, namely water and the ionic liquid 1‐ethyl‐3‐methylimidazolium acetate (EmimAc), on the conformations of two cellulose models (cellobiose and a chain of 40 glucose units) and the solvent impact on glycosidic bond cleavage by acid hydrolysis by using molecular dynamics and metadynamics simulations. We investigate the rotation around the glycosidic bond and ring puckering, as well as the anomeric effect and hydrogen bonds, in order to gauge the effect on the hydrolysis mechanism. We find that EmimAc eases hydrolysis through stronger solvent–cellulose interactions, which break structural and electronic barriers to hydrolysis. Our results indicate that hydrolysis in cellulose chains should start from the ends and not in the centre of the chain, which is less accessible to solvent. 相似文献
2.
Walter N. Harrington Christina M. Kackos Richard J. Webby 《Experimental & molecular medicine》2021,53(5):737
The influenza virus is a global threat to human health causing unpredictable yet recurring pandemics, the last four emerging over the course of a hundred years. As our knowledge of influenza virus evolution, distribution, and transmission has increased, paths to pandemic preparedness have become apparent. In the 1950s, the World Health Organization (WHO) established a global influenza surveillance network that is now composed of institutions in 122 member states. This and other surveillance networks monitor circulating influenza strains in humans and animal reservoirs and are primed to detect influenza strains with pandemic potential. Both the United States Centers for Disease Control and Prevention and the WHO have also developed pandemic risk assessment tools that evaluate specific aspects of emerging influenza strains to develop a systematic process of determining research and funding priorities according to the risk of emergence and potential impact. Here, we review the history of influenza pandemic preparedness and the current state of preparedness, and we propose additional measures for improvement. We also comment on the intersection between the influenza pandemic preparedness network and the current SARS-CoV-2 crisis. We must continually evaluate and revise our risk assessment and pandemic preparedness plans and incorporate new information gathered from research and global crises.Subject terms: Influenza virus, Infectious diseases 相似文献
3.
We prove the existence of global smooth solutions near a given steady state of the hydrodynamic model of the semiconductors
in a bounded domain with physical boundary conditions. The steady state and the doping profile are permitted to be of large
variation but the initial velocity must be small. Two cases are considered. In the first one the problem is three-dimensional,
the boundary conditions are insulating and the steady state velocity vanishes. In the second one, the problem is one-dimensional,
the boundary is of contact type and the steady state velocity does not vanish. 相似文献
4.
P. Seelig A. Dax S. Faber M. Gerlach G. Huber T. Kühl D. Marx P. Merz W. Quint F. Schmitt H. Winter M. Würtz 《Hyperfine Interactions》1998,114(1-4):135-139
The investigation of the 1s HFS provides a good possibility for testing QED effects in a combination of a strong electric
and magnetic field. Here, we report about the laserspectroscopic measurements of the ground state hyperfine splitting in 207Pb81+. To handle this M1-transition in the infrared optical regime with its long lifetime, we developed a new detection technique
using a bunched ion beam. For the observation of fluorescence light, a new mirror system is adapted to the emission characteristics
from an ion beam at relativistic velocities.
This revised version was published online in July 2006 with corrections to the Cover Date. 相似文献
5.
The synthesis of oligonucleotides containing 7-(2-deoxy-β -D -erythro-pentofuranosyl)adenine (N7Ad; 1 ) is described. Compound 1 was obtained from the precursor 4-amino-1H -imidazole-5-carbonitrile 2-deoxyribonucleoside 6 and was found to be much more labile than Ad. The N6-benzoyl protecting group (see 8 ) destabilized the N-glycosylic bond further and was difficult to remove by NH3-catalyzed hydrolysis. Therefore, a (dimethyl-amino)methylidene residue was introduced (→ 9 ). Amidine 9 was blocked at OH? C(5′) with the dimethoxytrityl residue ((MeO)2Tr), and phosphonate 4 as well as phosphoramidite 5 were prepared under standard conditions. Phosphonate 4 was employed in solid-phase oligonucleotide synthesis. Homooligonucleotides as well as self-complementary oligonucleotides were prepared. The oligomer d[(N7A)11-A] ( 11 ) formed a duplex with d(T12) ( 13 ). Antiparallel chain polarity and reverse Watson-Crick base pairing was deduced from duplex formation of the self-complementary d[(N7A)8-T8] ( 14 ). 相似文献
6.
The Cauchy Problem for the relativistic Vlasov-Maxwell equations is studied in three space dimensions. It is assumed that the initial data satisfy the required constraints and have compact support. If in addition the data have sufficiently smallC
2 norm, then a uniqueC
1 solution to this system is shown to exist on all of spacetime.Research supported in part by NSF DMS 85-20662 and NSF DMS 84-20957 相似文献
7.
Aspects of Generic Entanglement 总被引:4,自引:4,他引:0
Patrick Hayden Debbie W. Leung Andreas Winter 《Communications in Mathematical Physics》2006,265(1):95-117
We study entanglement and other correlation properties of random states in high-dimensional bipartite systems. These correlations
are quantified by parameters that are subject to the ``concentration of measure' phenomenon, meaning that on a large-probability
set these parameters are close to their expectation. For the entropy of entanglement, this has the counterintuitive consequence
that there exist large subspaces in which all pure states are close to maximally entangled. This, in turn, implies the existence
of mixed states with entanglement of formation near that of a maximally entangled state, but with negligible quantum mutual
information and, therefore, negligible distillable entanglement, secret key, and common randomness. It also implies a very
strong locking effect for the entanglement of formation: its value can jump from maximal to near zero by tracing over a number
of qubits negligible compared to the size of the total system. Furthermore, such properties are generic. Similar phenomena
are observed for random multiparty states, leading us to speculate on the possibility that the theory of entanglement is much
simplified when restricted to asymptotically generic states. Further consequences of our results include a complete derandomization
of the protocol for universal superdense coding of quantum states. 相似文献
8.
9.
Many problems arising in practical applications lead to linear programming problems. Hence, they are fundamentally tractable. Recent interior-point methods can exploit problem structure to solve such problems very efficiently. Infeasible interior-point predictor–corrector methods using floating-point arithmetic sometimes compute an approximate solution with duality gap less than a given tolerance even when the problem may not have a solution. We present an efficient verification method for solving linear programming problems which computes a guaranteed enclosure of the optimal solution and which verifies the existence of the solution within the computed interval. 相似文献
10.
Sven Walter 《Acta Analytica》2005,20(3):32-47
Frank Jackson and Philip Pettit have defended a non-reductive account of causal relevance known as the ‘program explanation
account’. Allegedly, irreducible mental properties can be causally relevant in virtue of figuring in non-redundant program explanations which convey information not conveyed by explanations in terms of the physical properties that actually do the ‘causal work’.
I argue that none of the possible ways to spell out the intuitively plausible idea of a program explanation serves its purpose,
viz., defends non-reductive physicalism against Jaegwon Kim’s Causal Exclusion Argument according to which non-reductive physicalism is committed to epiphenomenalism because irreducible mental properties are ‘screened
off’ from causal relevance by their physical realizers. Jackson and Pettit’s most promising explication of a program explanation
appeals to the idea of invariance of effect under variation of realization, but I show that invariance of effect under variation of realization is neither necessary nor sufficient for causal relevance. 相似文献