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101.
Thomas D. McGrath Mark A. Fox Alan J. Welch 《Acta Crystallographica. Section C, Structural Chemistry》2000,56(4):487-488
The title compound, 9‐iodo‐1,2‐diphenyl‐1,2‐dicarba‐closo‐dodecaborane(9), C14H19B10I, has the expected pseudo‐icosahedral cluster geometry, with a cage C—C distance of 1.724 (4) Å, comparable to that in the non‐iodinated parent. However, the twist angles, θ, of the phenyl rings are 2.1 (6) and 27.6 (5)°, the latter being unusually large. 相似文献
102.
M. J. Welch Jennifer C. Colbert Lisa M. Gill Curtis S. Phinney Katherine E. Sharpless Lorna T. Sniegoski Laura J. Wood 《Analytical and bioanalytical chemistry》2001,370(1):42-47
In response to reference material needs expressed by the food industry and government regulators, the National Institute
of Standards and Technology (NIST) has developed a new Standard Reference Material (SRM) consisting of a canned meat product
with certified and reference values for a large number of constituents. SRM 1546 Meat Homogenate consists of a mixture of
finely ground pork and chicken prepared and canned by a commercial process. NIST determined the concentration levels of cholesterol,
sodium, calcium, iron, and seven fatty acids in this SRM using well defined methods and procedures. These analytes as well
as 34 other constituents or properties were determined in an interlaboratory comparison exercise involving 21 laboratories,
most of which are associated with the National Food Processors Association (NFPA) Food Industry Analytical Chemists Subcommittee
(FIACS). From statistical analysis of the data, NIST assigned certified concentrations for the eleven analytes measured at
NIST and reference concentrations for the proximates, six additional fatty acids, seven minerals, and seven water-soluble
vitamins. Information values without uncertainties are provided for the concentrations of six additional constituents for
which the uncertainties could not adequately be assessed. SRM 1546 will provide laboratories with a means to evaluate the
accuracy of the methods they use to assign nutrient levels to processed meats and similar products.
Received: 11 October 2000 / Revised: 15 December 2000 / Accepted: 21 December 2000 相似文献
103.
Alan J. Welch Ulaganathan Venkatasubramanian Georgina M. Rosair David Ellis David J. Donohoe 《Acta Crystallographica. Section C, Structural Chemistry》2001,57(11):1295-1296
The title compound, C3H12B10O2 or 1-COOH-1,2-closo-C2B10H11, forms centrosymmetric dimers through intermolecular hydrogen bonding between the carboxylic acid groups, resulting in the formation of an eight-membered ring [R(8)]. The C=O bond of the carboxylic acid group almost eclipses the unsubstituted cage C atom, with a C—C—C—O torsion angle of 2.6 (2)°. 相似文献
104.
105.
Daniel A. Holland‐Moritz Michael K. Wismer Benjamin F. Mann Iman Farasat Paul Devine Erik D. Guetschow Ian Mangion Christopher J. Welch Jeffrey C. Moore Shuwen Sun Robert T. Kennedy 《Angewandte Chemie (International ed. in English)》2020,59(11):4470-4477
Microfluidic droplet sorting enables the high‐throughput screening and selection of water‐in‐oil microreactors at speeds and volumes unparalleled by traditional well‐plate approaches. Most such systems sort using fluorescent reporters on modified substrates or reactions that are rarely industrially relevant. We describe a microfluidic system for high‐throughput sorting of nanoliter droplets based on direct detection using electrospray ionization mass spectrometry (ESI‐MS). Droplets are split, one portion is analyzed by ESI‐MS, and the second portion is sorted based on the MS result. Throughput of 0.7 samples s?1 is achieved with 98 % accuracy using a self‐correcting and adaptive sorting algorithm. We use the system to screen ≈15 000 samples in 6 h and demonstrate its utility by sorting 25 nL droplets containing transaminase expressed in vitro. Label‐free ESI‐MS droplet screening expands the toolbox for droplet detection and recovery, improving the applicability of droplet sorting to protein engineering, drug discovery, and diagnostic workflows. 相似文献
106.
Efficient Global Optimization of Expensive Black-Box Functions 总被引:41,自引:0,他引:41
Donald R. Jones Matthias Schonlau William J. Welch 《Journal of Global Optimization》1998,13(4):455-492
In many engineering optimization problems, the number of function evaluations is severely limited by time or cost. These problems pose a special challenge to the field of global optimization, since existing methods often require more function evaluations than can be comfortably afforded. One way to address this challenge is to fit response surfaces to data collected by evaluating the objective and constraint functions at a few points. These surfaces can then be used for visualization, tradeoff analysis, and optimization. In this paper, we introduce the reader to a response surface methodology that is especially good at modeling the nonlinear, multimodal functions that often occur in engineering. We then show how these approximating functions can be used to construct an efficient global optimization algorithm with a credible stopping rule. The key to using response surfaces for global optimization lies in balancing the need to exploit the approximating surface (by sampling where it is minimized) with the need to improve the approximation (by sampling where prediction error may be high). Striking this balance requires solving certain auxiliary problems which have previously been considered intractable, but we show how these computational obstacles can be overcome. 相似文献
107.
108.
Z. V. I. Zaretskii E. E. Kingston J. H. Beynon M. Guilhaus R. G. Kingston A. G. Brenton J. H. Beynon Michael J. Welch Daniel J. Pereles White V Edward Peter C. Burgers I. L. Aubagnac B. Elamrani F. M. Devienne R. Combarieu Sabatino Nacson Alex G. Harrison Robert G. Gilbert Margaret M. Sheil Peter J. Derrick 《Journal of mass spectrometry : JMS》1985,20(6):422-431
109.
C J Welch X X Zhou J Chattopadhyaya 《Acta chemica Scandinavica. Series B: Organic chemistry and biochemistry》1986,40(10):817-825
The synthesis of 5'-GpGpUpGpU-3' is reported to demonstrate the synthetic use of the 6-methyl-3-pyridyl group for the protection of the O-4 and O-6 imide functions of uridine and guanosine, respectively. The 2'- and 5'-hydroxyl functions of the key intermediates were protected with two acid-labile groups: 3-methoxy-1,5-dicarbomethoxypentane-3-yl (MDMP) and 9-(4-octadecyloxyphenyl)xanthen-9-yl (C18Px), respectively. The internucleotide phosphotriesters were protected with 2-chlorophenyl and the 9-fluorenylmethyl group was employed for 3'-terminal phosphate protection. 相似文献
110.