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排序方式: 共有195条查询结果,搜索用时 31 毫秒
31.
The aim of this study is to establish a new representation for the dynamic algebra of the Morse oscillator and to establish the raising and lowering operators based on the properties of the confluent hypergeometric functions. Using the representation we have obtained a recurrent analytic method for the calculus of the Franck–Condon factors. © 1997 John Wiley & Sons, Inc. Int J Quant Chem 64 : 655–660, 1997 相似文献
32.
Yair Shapira Moshe Israeli Avram Sidi Uzi Zrahia 《Numerical Methods for Partial Differential Equations》1999,15(5):535-543
Spectral element schemes for the solution of elliptic boundary value problems are considered. Preconditioning methods based on finite difference and finite element schemes are implemented. Numerical experiments show that inverting the preconditioner by a single multigrid iteration is most efficient and that the finite difference preconditioner is superior to the finite element one for both definite and indefinite problems. A multigrid preconditioner is also derived from the finite difference preconditioner and is found suitable for the CGS acceleration method. It is pointed out that, for the finite difference and finite element preconditioners, CGS does not always converge to the accurate algebraic solution. © 1999 John Wiley & Sons, Inc. Numer Methods Partial Differential Eq 15: 535–543, 1999 相似文献
33.
Dr. Yaoyu Liang Dr. Irena Efremenko Dr. Yael Diskin-Posner Dr. Liat Avram Prof. Dr. David Milstein 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2024,136(21):e202401702
Bond activation and catalysis using s-block metals are of great significance. Herein, a series of calcium pincer complexes with deprotonated side arms have been prepared using pyridine-based PNP and PNN ligands. The complexes were characterized by NMR and X-ray crystal diffraction. Utilizing the obtained calcium complexes, unprecedented N2O activation by metal-ligand cooperation (MLC) involving dearomatization-aromatization of the pyridine ligand was achieved, generating aromatized calcium diazotate complexes as products. Additionally, the dearomatized calcium complexes were able to activate the N−H bond as well as reversibly activate H2, offering an opportunity for the catalytic hydrogenation of various unsaturated molecules. DFT calculations were applied to analyze the electronic structures of the synthesized complexes and explore possible reaction mechanisms. This study is an important complement to the area of MLC and main-group metal chemistry. 相似文献
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35.
Jose-Luis Sagripanti Avram Levy Jeannie Robertson Adam Merritt Timothy J. J. Inglis 《Photochemistry and photobiology》2009,85(4):978-986
The goal of this study was to determine the sensitivity of virulent Burkholderia pseudomallei to natural sunlight. We describe solar dosimetry calibrated to integrate radiation between 295 and 305 nm and an exposure system that minimizes thermal effects on bacterial cells. Burkholderia pseudomallei cells were either exposed to sunlight in UV transparent dishes or maintained in the dark covered by opaque foil. The cells maintained in the dark remained at constant levels for the duration of all experiments. The exposed cells nearby were killed with a kinetic studied through 5 Log10 inactivation. We found that cells in stationary phase of growth were nearly two-fold more resistant to sunlight than cells in lag or exponential growth. A virulent strain of B. pseudomallei that produced mucoid colonies showed sensitivity to sunlight similar to both a virulent strain that produced nonmucoid colonies and a strain of B. thailandensis . The inactivation of B. pseudomallei by sunlight in different types of water of environmental relevance or inside amoebae was investigated. The sensitivity of virulent B. pseudomallei was calculated and its comparison with previous studies employing monochromatic germicidal light (254 nm) is discussed . This may be the first report in the open literature of the inactivation of a virulent biological threat agent by natural sunlight. These data should assist in estimating the risk for contracting melioidosis and in predicting the time period during which B. pseudomallei remains infectious after an accidental or intentional release in the environment. 相似文献
36.
Miller EM Murat L Bennette N Hayes M Mullin AS 《The journal of physical chemistry. A》2006,110(9):3266-3272
Strong collisions of highly vibrationally excited picoline isomers and CO2 (00(0)0) were investigated using high resolution transient IR absorption probing to investigate the role of donor state density. Vibrationally excited 3-picoline and 4-picoline (3-methylpyridine and 4 methylpyridine) with E(vib) = 38300 cm(-1) were prepared by 266 nm excitation followed by rapid internal conversion. Transient IR probe measurements of the nascent rotational and translational energy gain in CO2 (00(0)0) show that large DeltaE collisions for 3- and 4-picoline are similar to those for excited 2-picoline. The probability distributions for the large DeltaE energy transfer of the three isomers have similar dependence on DeltaE. The results are compared with other earlier results demonstrating that the shape of the large DeltaE probability distribution correlates with the DeltaE dependence of the donor vibrational state density. The results are discussed in terms of the GRETCHEN model for collisional relaxation. 相似文献
37.
Ubiquitination/ubiquitylation is involved in a wide range of cellular processes in eukaryotes, such as protein degradation and DNA repair. Ubiquitination is a reversible post-translational modification, with the removal of the ubiquitin (Ub) protein being catalyzed by a family of enzymes known as deubiquitinases (DUBs). Approximately 100 DUBs are encoded in the human genome and are involved in a variety of regulatory processes, such as cell-cycle progression, tissue development, and differentiation. DUBs were, moreover, found to be associated with several diseases and as such are emerging as potential therapeutic targets. Several directions have been pursued in the search for lead anti-DUB compounds. However, none of these strategies have delivered inhibitors reaching advanced clinical stages due to several challenges in the discovery process, such as the absence of a highly sensitive and practically available high-throughput screening assay. In this study, we report on the design and preparation of a FRET-based assay for DUBs based on the application of our recent chemical method for the synthesis of Ub bioconjugates. In the assay, the ubiquitinated peptide was specifically labeled with a pair of FRET labels and used to screen a library comprising 1000 compounds against UCH-L3. Such analysis identified a novel and potent inhibitor able to inhibit this DUB in time-dependent manner with k(inact) = 0.065 min(-1) and K(i) = 0.8 μM. Our assay, which was also found suitable for the UCH-L1 enzyme, should assist in the ongoing efforts targeting the various components of the ubiquitin system and studying the role of DUBs in health and disease. 相似文献
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Avram Sidi 《PAMM》2007,7(1):2020019-2020020
We discuss some recent developments in the use of class Sm variable transformations for improving the accuracy of the trapezoidal rule approximations in numerical integration via the trapezoidal rule. These concern optimal choices of m. (© 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim) 相似文献
40.
Dr. You-Quan Zou Dr. Niklas von Wolff Dr. Michael Rauch Dr. Moran Feller Dr. Quan-Quan Zhou Dr. Aviel Anaby Dr. Yael Diskin-Posner Dr. Linda J. W. Shimon Dr. Liat Avram Yehoshoa Ben-David Prof. Dr. David Milstein 《Chemistry (Weinheim an der Bergstrasse, Germany)》2021,27(14):4715-4722
Glycolic acid is a useful and important α-hydroxy acid that has broad applications. Herein, the homogeneous ruthenium catalyzed reforming of aqueous ethylene glycol to generate glycolic acid as well as pure hydrogen gas, without concomitant CO2 emission, is reported. This approach provides a clean and sustainable direction to glycolic acid and hydrogen, based on inexpensive, readily available, and renewable ethylene glycol using 0.5 mol % of catalyst. In-depth mechanistic experimental and computational studies highlight key aspects of the PNNH-ligand framework involved in this transformation. 相似文献