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排序方式: 共有212条查询结果,搜索用时 46 毫秒
31.
32.
R. K. Sinha A. Dhal P. Agarwal S. Kumar Monika B. B. Singh R. Kumar P. Bringel A. Neusser R. Kumar K. S. Golda R. P. Singh S. Muralithar N. Madhavan J. J. Das K. S. Thind A. K. Sinha I. M. Govil R. K. Bhowmik J. B. Gupta P. K. Joshi A. K. Jain S. C. Pancholi L. Chaturvedi 《The European Physical Journal A - Hadrons and Nuclei》2006,28(3):277-281
High-spin states in 79Rb were populated in the reaction
at E(beam) = 60 MeV. The lifetimes of the excited states of the
positive-parity yrast band and of the
negative-parity band in 79Rb were measured by the Doppler Shift Attenuation Method. The deduced transition quadrupole moments Qt are found to have a decreasing trend with rotational frequency for both the bands, consistent with those found experimentally
in neighbouring nuclei.
An erratum to this article is available at . 相似文献
33.
Neha Gupta Saurav Kumar Choudhary Neeta Bhagat Muthusamy Karthikeyan Archana Chaturvedi 《Molecules (Basel, Switzerland)》2021,26(14)
The binding of heat stable enterotoxin (STa) secreted by enterotoxigenic Escherichia coli (ETEC) to the extracellular domain of guanylyl cyclase c (ECDGC-C) causes activation of a signaling cascade, which ultimately results in watery diarrhea. We carried out this study with the objective of finding ligands that would interfere with the binding of STa on ECDGC-C. With this view in mind, we tested the biological activity of a alkaloid rich fraction of Holarrhena pubescens against ETEC under in vitro conditions. Since this fraction showed significant antibacterial activity against ETEC, we decided to test the screen binding affinity of nine compounds of steroidal alkaloid type from Holarrhena pubescens against extracellular domain (ECD) by molecular docking and identified three compounds with significant binding energy. Molecular dynamics simulations were performed for all the three lead compounds to establish the stability of their interaction with the target protein. Pharmacokinetics and toxicity profiling of these leads demonstrated that they possessed good drug-like properties. Furthermore, the ability of these leads to inhibit the binding of STa to ECD was evaluated. This was first done by identifying amino acid residues of ECDGC-C binding to STa by protein–protein docking. The results were matched with our molecular docking results. We report here that holadysenterine, one of the lead compounds that showed a strong affinity for the amino acid residues on ECDGC-C, also binds to STa. This suggests that holadysenterine has the potential to inhibit binding of STa on ECD and can be considered for future study, involving its validation through in vitro assays and animal model studies. 相似文献
34.
35.
Shobhit S. Chaturvedi Rajeev Ramanan Sodiq O. Waheed Jon Ainsley Martin Evison Jennifer M. Ames Christopher J. Schofield Tatyana G. Karabencheva-Christova Christo Z. Christov 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(21):5422-5426
The human KDM7 subfamily histone H3 Nϵ-methyl lysine demethylases PHF8 (KDM7B) and KIAA1718 (KDM7A) have different substrate selectivities and are linked to genetic diseases and cancer. We describe experimentally based computational studies revealing that flexibility of the region linking the PHD finger and JmjC domains in PHF8 and KIAA1718 regulates interdomain interactions, the nature of correlated motions, and ultimately H3 binding and demethylation site selectivity. F279S an X-linked mental retardation mutation in PHF8 is involved in correlated motions with the iron ligands and second sphere residues. The calculations reveal key roles of a flexible protein environment in productive formation of enzyme-substrate complexes and suggest targeting the flexible KDM7 linker region is of interest from a medicinal chemistry perspective. 相似文献
36.
Caroline K. Williams Gavin A. McCarver Ashwin Chaturvedi Dr. Soumalya Sinha Marcus Ang Prof. Konstantinos D. Vogiatzis Prof. Jianbing “Jimmy” Jiang 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(52):e202201323
Electrocatalytic hydrogen gas production is considered a potential pathway towards carbon-neutral energy sources. However, the development of this technology is hindered by the lack of efficient, cost-effective, and environmentally benign catalysts. In this study, a main-group-element-based electrocatalyst, SbSalen , is reported to catalyze the hydrogen evolution reaction (HER) in an aqueous medium. The heterogenized molecular system achieved a Faradaic efficiency of 100 % at −1.4 V vs. NHE with a maximum current density of −30.7 mA/cm2. X-ray photoelectron spectroscopy of the catalyst-bound working electrode before and after electrolysis confirmed the molecular stability during catalysis. The turnover frequency was calculated as 43.4 s−1 using redox-peak integration. The kinetic and mechanistic aspects of the electrocatalytic reaction were further examined by computational methods. This study provides mechanistic insights into main-group-element electrocatalysts for heterogeneous small-molecule conversion. 相似文献
37.
Devdutt Chaturvedi Nisha Mishra Virendra Mishra 《Monatshefte für Chemie / Chemical Monthly》2008,139(3):267-270
Summary. A Mitsunobu-based protocol has been developed for the synthesis of symmetrically and unsymmetrically substituted ureas from a variety
of primary and secondary amines using gaseous carbon dioxide, in good to excellent yields. This protocol is mild and efficient
compared to other reported methods. 相似文献
38.
A novel Mitsunobu-based protocol has been developed for the synthesis of a variety of symmetrical and unsymmetrical trithiocarbonates from primary, secondary and tertiary thiols using carbon disulfide, in good to excellent yields. This protocol is mild and efficient compared to other reported methods. 相似文献
39.
Hiba Assi Harshwardhan Chaturvedi Michel Pleimling Uwe Claus Täuber 《The European Physical Journal B - Condensed Matter and Complex Systems》2016,89(11):252
We employ Monte Carlo simulations to study the relaxation properties of the two-dimensional Coulomb glass in disordered semiconductors and the three-dimensional Bose glass in type-II superconductors in the presence of extended linear defects. We investigate the effects of adding non-zero random on-site energies from different distributions on the properties of the correlation-induced Coulomb gap in the density of states (DOS) and on the non-equilibrium aging kinetics highlighted by the density autocorrelation functions. We also probe the sensitivity of the system’s equilibrium and non-equilibrium relaxation properties to instantaneous changes in the density of charge carriers in the Coulomb glass or flux lines in the Bose glass. 相似文献
40.
A code has been developed for calculating opacities of hot dense plasmas. This uses the average atom model to calculate the frequency dependent opacities with contributions from bound‐bound, bound‐free, free‐free and scattering processes. In this paper, we report work in three areas. Firstly, we present the enhanced absorption found in certain photon energy regions with the use of screening coefficients with l‐splitting in comparison to those obtained without l‐splitting. Secondly, we have generalized the code to allow mixture of elements, albeit without molecular effects. Thirdly, we compare our code results with other codes and experimental data. 相似文献