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111.
Gosteva Alevtina N. Plyusnin Pavel E. Semushina Yulya P. Pechenyuk Sofiya I. Filatov Evgeny Yu. Kyrtova Olga Yu. 《Journal of Thermal Analysis and Calorimetry》2018,134(1):253-260
Journal of Thermal Analysis and Calorimetry - The thermal behavior of double complex compounds (DCC) [Cr(ur)6][Co(CN)6]·4H2O (I), [Cr(ur)6][Co(C2O4)3]·3.5H2O (II),... 相似文献
112.
Edyta M. Greer Christopher V. Cosgriff Olga Lavinda 《Journal of Physical Organic Chemistry》2012,25(12):1293-1298
Pentamethylene chain conformational effects for the Bergman cyclization of the 11‐membered ring enediyne, (3Z)‐3‐cycloundecene‐1,5‐diyne, 2, are examined theoretically with unrestricted Becke, three‐parameter, Lee–Yang–Parr/6‐31 G(d,p) calculations. A C1 symmetric enediyne conformation was found to be the global minimum, where its nonsymmetric pentamethylene chain prevented π‐orbital alignment of the acetylene groups for C–C σ bond product formation. The Bergman cyclization of 2 was found to be conformationally dependent. In a Curtin–Hammett type process, the C1 symmetric 2 inverts to one of the CS or C2 symmetric conformers required for the Bergman cyclization, which produced a CS or C2 symmetric 1,4‐diradical intermediate. The activation energy for the cyclization is slightly higher to reach the C2 symmetry diradical compared with the CS symmetry diradical. Copyright © 2012 John Wiley & Sons, Ltd. 相似文献
113.
Nosova Emiliya V. Batanova Olga A. Mochulskaya Nataliya N. Charushin Valery N. 《Chemistry of Heterocyclic Compounds》2019,55(6):578-582
Chemistry of Heterocyclic Compounds - We have developed an efficient synthetic approach to potential antibacterial agents with double mechanism of action through the combination of antibacterial... 相似文献
114.
115.
Shchelkanova Mariya S. Shekhtman Georgi Sh. Kalashnova Anastasia V. Reznitskikh Olga G. 《Journal of Solid State Electrochemistry》2018,22(9):2959-2964
Journal of Solid State Electrochemistry - Lithium ion conductivity of lithium hexaoxozirconate Li8ZrO6 doped by Mg2+, Sr2+, Nb5+, V5+, and Ce4+ cations was studied using impedance spectroscopy. The... 相似文献
116.
We suggest a convenient method to obtain N-methyiphthalimide with a high yield in the reaction of phthalic anhydride with aqueous methylamine. 相似文献
117.
Alexey V. Laptev Dmitrii E. Pugachev Alexey Yu. Lukin Andrei V. Nechaev Nikolay E. Belikov Olga V. Demina Petr P. Levin Andrey A. Khodonov Andrey F. Mironov Sergei D. Varfolomeev Vitalii I. Shvets 《Mendeleev Communications》2013,23(4):199-201
A new 5,10,15,20-tetrasubstituted porphyrin containing four 6’-nitro-1,3,3-trimethylspiro(indolino-2,2’-2H-chromene) substituents and its complexes with Zn2+ and Cu2+ ions were prepared and characterized by physicochemical methods of analysis. 相似文献
118.
119.
Olga Mezentseva Galina Slepchenko Victor Filimonov Elena Mikheeva Galina Arbit 《Electroanalysis》2019,31(8):1477-1483
The electrochemical behavior of a number of benzoyl barbiturates was studied using a glassy carbon electrode (GCE). The kinetics of the electrode process is determined, the contribution of physical adsorption to the electrochemical process is estimated, and the mechanism of the possible electrochemical reaction is proposed. It is shown that the electrochemical reduction potentials of benzoyl phenobarbital derivatives are determined by the LUMO energies, calculated by the B3LYP 6‐311+G method. It is established that the process is quasi‐reversible, complicated by adverse reactions. The influence of halogen type and its position in the benzoyl residue of the studied substances on the analytical signal is established. The effective values of the dissociation constants of various forms of benzoyl derivatives were calculated using the example of halonal, for which the values 3.16 ? 10?8 and 6.31 ? 10?12, respectively, were found. 相似文献
120.
Dr. Antony J. Stasyuk Dr. Olga A. Stasyuk Prof. Dr. Miquel Solà Prof. Dr. Alexander A. Voityuk 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(10):2577-2585
Porphyrin–fullerene dyads are promising candidates for organic photovoltaic devices. The electron-transfer (ET) properties of the molecular devices depend significantly on the mutual position of the donor and acceptor. Recently, a new type of molecular isomerism (akamptisomerism) has been discovered. In the present study, we explore how photoinduced ET can be modulated by passing from one akamptisomer to another. To this aim, four akamptisomers of the quinoxalinoporphyrin–[60]fullerene complex are selected for computational study. The most striking finding is that, depending on the isomer, the porphyrin unit in the dyad can act as either electron donor or electron acceptor. Thus, the stereoisomeric diversity allows one to change the direction of ET between the porphyrin and fullerene moieties. To understand the effect of akamptisomerism on the photoinduced ET processes, a detailed analysis of initial and final states involved in the ET is performed. The computed rate for charge separation is estimated to be in the region of 1–10 ns−1. The formation of a long-living quinoxalinoporphyrin anion radical species is predicted. 相似文献