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61.
Sokolov MN Gushchin AL Virovets AV Peresypkina EV Kozlova SG Fedin VP 《Inorganic chemistry》2004,43(25):7966-7968
Black single crystals of Ta(4)Se(9)I(8) are obtained in a high yield by heating Ta, Se, and I(2) at 300 degrees C in 1:2.2:1.0 molar ratio. In the structure, the tantalum atoms form a square, with four Se(2) ligands bridging the Ta-Ta edges and one capping the square. Each Ta atom has two terminal iodine atoms. The compound is diamagnetic and has only two electrons for metal-metal bonding. 相似文献
62.
Inclusion complexes of poly(ethylene oxide) with α-cyclodextrin are the key compounds in the synthesis of polyrotaxanes. These
complexes prepared in aqueous solutions contain free cyclodextrin, which cocrystallizes with the major reaction product. These
complexes dissociate upon dissolution in DMF and DMSO to form cyclodextrin and pseudopolyrotaxanes with a low cyclodextrin
content. Polyrotaxane was synthesized with the use of poly(ethylene oxide)-α,ω-bis-amine as a linear component. The end-groups
of the polymer in the inclusion complex were modified by the reaction with 2,4-dinitrofluorobenzene. A procedure was developed
for purification of a polyrotaxane with high cyclodextrin content.
__________
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 8, pp. 1914–1918, August, 2005. 相似文献
63.
S. V. Trepalin A. V. Yarkov V. B. Sokolov A. N. Ivanov 《Russian Chemical Bulletin》1990,39(3):476-480
The potential function has been constructed for internal rotation of the NO-group in (CH3)2CClNO, CH3CCl2NO, and their deuterium analogs. It has been established that the N=O bond in the cisCl conformer of CH3CCl2NO does not eclipse the C-Cl bond, rather forming an angle of approximately 30. It has been shown that a change in substitutent on the -carbon atom may produce a substantial change in the form of the potential function of internal rotation (PFIR) of the NO group.Translated from Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, No. 3, pp. 550–555, March, 1990. 相似文献
64.
65.
Solodovnikov S. P. Tumanskii B. L. Bashilov V. V. Lebedkin S. F. Sokolov V. I. 《Russian Chemical Bulletin》2002,51(6):1009-1014
The ESR spectra of the products of oxidation of solutions and powders of Y@C82 and La@C82 with fuming sulfuric acid were studied. Based on the oxidation conditions and the sequence of spectral patterns, the spectra were attributed to the radical cations M@C82
n+ (n = 2, 4), dimers M3+
2@C164
+, and polyendometallofullerenes. 相似文献
66.
67.
L. F. Chertanova B. I. Buzykin A. A. Gazikasheva M. P. Sokolov 《Russian Chemical Bulletin》1992,41(12):2162-2167
The crystal and molecular structures of the products of the halogenation of the dimorpholide of ethoxyvinylphosphonic acid were determined by the method of x-ray structure analysis. It was established that (dimorpholinophosphoryl)chloroacetaldehyde only exists in the crystals as the Z-enol [(Z)-1-hydroxy-2-(dimorpholinophosphoryl)-2-chloroethene] with intra- and intermolecular H-bonds (=CH...O=P and OH...O=P). The (dimorpholinophosphoryl)dibromomethane forms centrosymmetric eight-membered cyclic dimers in the crystals due to intermolecular CH...O=P H-bonds. The structure of the morpholine and phosphoryl groups in both compounds was discussed.A. E. Arbuzov Institute of Organic and Physical Chemistry, Kazan' Scientific Center, Russian Academy of Sciences, 420083 Kazan'. Translated fromIzvestiya Akademii Nauk, Seriya Khimicheskaya, No. 12, pp. 2730–2737, December, 1992. 相似文献
68.
T. V. Mitkina D. Yu. Naumov O. A. Gerasko F. M. Dolgushin C. Vicent R Llusar M. N. Sokolov V. P. Fedin 《Russian Chemical Bulletin》2004,53(11):2519-2524
The inclusion compound of macrocyclic cavitand cucurbit[8]uril (CB[8]) with the nickel(II) complex containing the tetraazamacrocyclic ligand cyclam, {[Ni(cyclam)]@CB[8]}Cl2··16H2O (1), and the inclusion compounds of CB[8] with the copper(II) bis-ethylene-diamine complex, {trans-[Cu(en)2(H2O)2]@CB[8]}Cl2·{CB[8]}·42H2O (2a) and {trans-[Cu(en)2(H2O)2]@CB[8]}Cl2·17H2O (2b), were synthesized and characterized by X-ray diffraction analysis, IR and ESR spectroscopy, and electrospray mass spectrometry. Guest—host inclusion compounds can be directly synthesized starting from a metal complex and cucurbit[8]uril, as was exemplified by the preparation of compounds 2a and 2b.__________Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 11, pp. 2414–2419, November, 2004. 相似文献
69.
V. I. Sokolov 《Journal of organometallic chemistry》1995,500(1-2):299-306
Results of a long experience of our group in Moscow in the area of chiral organometallic stereochemistry are described. They embrace optically active organometallic derivatives of mercury, palladium, platinum, functionalized ferrocenes, ruthenocenes, and cymantrenes as well as less common objects such as organometallic fullerenes and the cyclodextrin-metallocenes inclusion complexes. 相似文献
70.
Panagiotis Kl. Barkoutsos Fotios Gkritsis Pauline J. Ollitrault Igor O. Sokolov Stefan Woerner Ivano Tavernelli 《Chemical science》2021,12(12):4345
The development of tailored materials for specific applications is an active field of research in chemistry, material science and drug discovery. The number of possible molecules obtainable from a set of atomic species grow exponentially with the size of the system, limiting the efficiency of classical sampling algorithms. On the other hand, quantum computers can provide an efficient solution to the sampling of the chemical compound space for the optimization of a given molecular property. In this work, we propose a quantum algorithm for addressing the material design problem with a favourable scaling. The core of this approach is the representation of the space of candidate structures as a linear superposition of all possible atomic compositions. The corresponding ‘alchemical’ Hamiltonian drives the optimization in both the atomic and electronic spaces leading to the selection of the best fitting molecule, which optimizes a given property of the system, e.g., the interaction with an external potential as in drug design. The quantum advantage resides in the efficient calculation of the electronic structure properties together with the sampling of the exponentially large chemical compound space. We demonstrate both in simulations and with IBM Quantum hardware the efficiency of our scheme and highlight the results in a few test cases. This preliminary study can serve as a basis for the development of further material design quantum algorithms for near-term quantum computers.‘Alchemical’ quantum algorithm for the simultaneous optimisation of chemical composition and electronic structure for material design. By exploiting quantum mechanical principles this approach will boost drug discovery in the near future. 相似文献