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181.
Polukeev AV Kuklin SA Petrovskii PV Peregudova SM Smol'yakov AF Dolgushin FM Koridze AA 《Dalton transactions (Cambridge, England : 2003)》2011,40(27):7201-7209
Palladium fluorophenyl complexes with different pincer ligands Pd(Ar)[2,6-(tBu(2)PCH(2))(2)C(6)H(3)] (13), Pd(Ar)[2,6-(tBu(2)PO)(2)C(6)H(3)] (14), Pd(Ar)[{2,5-(tBu(2)PCH(2))(2)C(5)H(2)}Fe(C(5)H(5))] (15), and Pd(Ar)[{2,5-(tBu(2)PCH(2))(2)C(5)H(2)}Ru(C(5)H(5))] (16) were synthesized by the reaction of LiAr (Ar = C(6)H(4)F-4) with the respective trifluoroacetate palladium pincer complexes 9-12. The molecular structures of 14 and 16 were determined by an X-ray crystallographic method. Complexes 13-16 and {Pd(Ar)[{2,5-(tBu(2)PCH(2))(2)C(5)H(2)}Fe(C(5)H(5))]}PF(6) (17) were studied by multinuclear NMR spectroscopy and cyclic voltammetry. On the basis of (19)F NMR chemical shifts and (1)J((13)C-(19)F) coupling constants, as well as Pd(II)/Pd(IV) oxidation potentials, electronic characteristics of the corresponding pincer ligands were elucidated. 相似文献
182.
A. P. Tyurin A. F. Smol’yakov F. M. Dolgushin I. A. Godovikov I. T. Chizhevsky 《Russian Chemical Bulletin》2013,62(8):1938-1940
A reaction of complexes CoCl2(dppe) (dppe is the 1,2-bis(diphenylphosphino)ethane) or CoCl2(dppp) (dppp is the 1,3-bis(diphenylphosphino)propane) with [K][7,8-nido-C2B9H12] upon reflux in benzene led to the mixed ligand closo-cobaltacarboranes [3,3-(Ph2P(CH2) n PPh2)-3-Cl-closo-3,1,2-CoIIIC2B9H11] (n = 2 and 3, respectively) in moderate yields (34 and 16%). The structure of the 18-electron complexes in solution and the solid state was studied by NMR and IR spectroscopy, the structure in the case of the closo-complex with dppe-ligand was confirmed by X-ray crystallography. 相似文献
183.
A. A. Titov E. A. Guseva A. F. Smol’yakov F. M. Dolgushin O. A. Filippov I. E. Golub A. I. Krylova G. M. Babakhina L. M. Epstein E. S. Shubina 《Russian Chemical Bulletin》2013,62(8):1829-1834
A complexation of trimeric copper(i) and silver(i) 3,5-bis(trifluoromethyl)pyrazolates ((ML)3) with BH3NEt3 was studied by IR spectroscopy in hexane and dichloromethane solutions. In hexane, two complexes [(ML)3][BH3NEt3]2 (1) and [(ML)3][BH3NEt3] (2) were formed depending on the ratio of reagents. In dichloromethane, only one complex [(ML)3][BH3NEt3] (2) was found. The thermodynamic parameters (ΔH ○, ΔS ○) of complex 1 in hexane and complex 2 in dichloromethane were obtained. The complex [(AgL)3][BH3NEt3] was isolated in the solid state, its structure was established by X-ray diffraction. The complex is formed due to two bridges B-H-Ag, one BH group is not involved in the complexation. In crystal, molecules 2 form supramolecular dimers due to the intermolecular interactions between metals of two macrocycles. 相似文献
184.
I. V. Kalinina Z. A. Starikova F. M. Dolgushin D. G. Samsonenko V. P. Fedin 《Journal of Structural Chemistry》2004,45(5):861-864
The compound [Co(NH3)6]2[W4Se4(CN)12]·8.5H2O was obtained by evaporating an aqueous ammonia solution of K6[W4Se4(CN)12]·6H2O and CoCl2·6H2O complexes. The starting Co(II) of CoCl2·6H2O transforms into [Co(NH3)6]3+ when exposed to air in a water-ammonia medium. Crystal data: triclinic crystal system, a = 10.7750(8) Å, b = 12.2843(9) Å, c = 19.6539(14) Å; α = 90.213(2)°, β = 99.910(2)°, γ = 114.737(1)°, V = 2319.1(3) Å3, space group
, Z = 2, D
x
= 2.633 g/cm3.Original Russian Text Copyright © 2004 by I. V. Kalinina, Z. A. Starikova, F. M. Dolgushin, D. G. Samsonenko, and V. P. Fedin__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 5, pp. 905–908, September–October, 2004. 相似文献
185.
Fedor M. Dolgushin Alexander S. Goloveshkin Ivan V. Ananyev Svetlana V. Osintseva Yury V. Torubaev Sergey S. Krylov Alexandre S. Golub 《Acta Crystallographica. Section C, Structural Chemistry》2019,75(4):402-411
The molecular and crystal structure of the widely used antiseptic benzyldimethyl{3‐[(1‐oxotetradecyl)amino]propyl}ammonium chloride monohydrate (Miramistin, MR ), C26H47N2O+·Cl?·H2O, was determined by a single‐crystal X‐ray diffraction study and analyzed in the framework of the QTAIM (quantum theory of atoms in molecules) approach using both periodic and molecular DFT (density functional theory) calculations. The various noncovalent intermolecular interactions of different strengths were found to be realized in the hydrophilic parts of the crystal packing (i.e. O—H…Cl, N—H…Cl, C—H…Cl, C—H…O and C—H…π). The hydrophobic parts are built up exclusively by van der Waals H…H contacts. Quantification of the interaction energies using calculated electron‐density distribution revealed that the total energy of the contacts within the hydrophilic and hydrophobic regions are comparable in value. The organic MR cation adopts the bent conformation with the head group tilted back to the long‐chain alkyl tail in both the crystalline and the isolated state due to stabilization of this geometry by several intramolecular C—H…π, C—H…N and H…H interactions. This conformation preference is hypothesized to play an important role in the interaction of MR with biomembranes. 相似文献
186.
Fedor M. Dolgushin Alexander F. Smol’yakov Kyrill Yu. Suponitsky Anna V. Vologzhanina Ivan V. Fedyanin Svetlana V. Shishkina 《Structural chemistry》2016,27(1):37-49
Macrocyclic polydentate Lewis acids are of ongoing interest owing to their ability for molecular recognition of anions; however, deep understanding of the nature of supramolecular bonding in their crystals is still lacking. To solve this problem, we have analysed four polymorphic modifications A–D of cyclic trimeric perfluoro-ortho-phenylene mercury (1) by quantum chemical calculations of intermolecular pair interactions energy. In all polymorphs, the main structural motif is stacked columns, which are further connected to a three-dimensional structure with either ladder-shape interactions between parallel macrocycles or T-shape interactions between nearly perpendicular macrocycles. Both arrangements contribute almost equally to the stabilization of the crystal structure. According to DFT computational study of isolated dimers that correspond to the most energetically favourable molecular pairs, and topological analysis of electron density distribution, the stabilization of these dimers is governed by Hg···C and C···C interactions. Significant contribution also comes from F···C and Hg···F interactions, while the role of mercurophilic interactions and F···F contacts seems negligible. Statistical analysis of crystal structures of host–guest complexes of the macrocycle 1 using Voronoi polyhedra and Hirshfeld surfaces showed the same types of intermolecular interactions to be responsible for stabilization of its polymorphs and co-crystals. 相似文献
187.
L. B. Serezhkina E. V. Mit'kovskaya I. V. Medrish E. V. Grechishnikova F. M. Dolgushin M. Yu. Antipin V. N. Serezhkin 《Russian Journal of Coordination Chemistry》2005,31(12):889-893
The single crystals of [UO2SO4{(CH3)HNCONH(CH3)}2] (I) were synthesized and studied by X-ray diffraction. The crystals are monoclinic, a = 6.847(1) Å, b = 14.259(3) Å, c = 14.297(3) Å, β = 93.451(4)°, space group P21/n, Z = 4. The main structural units of crystals I are ribbons whose composition coincides with the composition of the compound. The crystal chemical formula of the complex is AT3M 2 1 (A = UO 2 2+ ). 相似文献
188.
Mulcahy C Dolgushin FM Krot KA Griffith D Marmion CJ 《Dalton transactions (Cambridge, England : 2003)》2005,(11):1993-1998
The reaction of cis-[Pt(NH3)2(3-pyhaH)2]2+ (3-pyhaH = 3-pyridinehydroxamic acid) and cis-[Pt(NH3)2(4-pyhaH)2]2+ (4-pyhaH = 4-pyridinehydroxamic acid) with Cu(II), Ni(II) or Zn(II) in aqueous solution affords novel heterobimetallic pyridinehydroxamate-bridged complexes, {cis-[Pt(NH3)2(mu-3-pyha)M(mu-3-pyha)].SO4.xH2O}n and {cis-[Pt(NH3)2(mu-4-pyha)M(mu-4-pyha)].SO4.xH2O}n respectively. The crystal and molecular structure of one of these, {cis-[Pt(NH3)2(mu-3-pyha)Cu(mu-3-pyha)]SO4.8H2O}n 3a, has been determined and was found to be a novel heterobimetallic wave-like coordination polymer, the structure of which contains interlinked pyridinehydroxamate-bridged repeating units of Pt(II) and Cu(II) ions in slightly distorted square-planar N4 and O4 coordination environments respectively and extensive hydrogen-bonding through the Pt ammines and the deprotonated hydroxamate O and via the O of the SO4(2-) counterions and the H(N) of the hydroxamate moiety. Spectrophotometric and speciation studies on the other heterobimetallic systems confirm that very similar species are being formed in solution and based on elemental analysis and spectroscopic results analogous complexes are formed in the solid-state. In this paper, we report the first examples of coordination polymers incorporating both Pt(II)/Cu(II), Pt(II)/Ni(II) and Pt(II)/Zn(II) and containing pyridinehydroxamic acids as bridging scaffolds. 相似文献
189.
Grishin ID D'yachihin DI Piskunov AV Dolgushin FM Smol'yakov AF Il'in MM Davankov VA Chizhevsky IT Grishin DF 《Inorganic chemistry》2011,50(16):7574-7585
The heating of the 18-electron complex [3,3-(dppb)-3-H-3-Cl-closo-3,1,2-RuC(2)B(9)H(11)] (3) in benzene at 80 °C in the presence of a small amount of CCl(4) as initiator afforded paramagnetic 17-electron species [3,3-(dppb)-3-Cl-closo-3,1,2-RuC(2)B(9)H(11)] (4) along with minor amounts of two P-phenylene ortho-cycloboronated derivatives [3-Cl-3,3,8-{Ph(2)P(CH(2))(4)PPh-μ-(C(6)H(4)-ortho)}-closo-3,1,2-RuC(2)B(9)H(10)] (5) and [3,7-Cl(2)-3,3,8-{Ph(2)P(CH(2))(4)PPh-μ-(C(6)H(4)-ortho)}-closo-3,1,2-RuC(2)B(9)H(10)] (6) in total yield of ca. 80%. The heating of either 3 or 4 in toluene at 95 °C in the absence of CCl(4) led to the selective formation of 5, which was isolated in 64% and 46% yield, respectively. Thermolysis of 3 at higher temperatures (boiling toluene, 110 °C) gives novel paramagnetic species [3-Cl-3,3,7,8-{Ph(2)P(CH(2))(4)P-μ-(C(6)H(4)-ortho)(2)}-closo-3,1,2-RuC(2)B(9)H(9)] (7) featuring bis(ortho-cycloboronation) of both P-phenyl groups at the same phosphorus atom of the ruthenium-bound dppb ligand. All new paramagnetic complexes 4-7, as well as starting diamagnetic species 3, were characterized by single-crystal X-ray diffraction and, in addition, by EPR spectroscopic studies of odd-electron complexes. Ruthenacarboranes 3-5 and 7 all display high efficiency as catalysts for the atom transfer radical polymerization (ATRP) of methyl methacrylate (MMA). Complex 5 gave the best catalyst performance in terms of polydispersity; the PDI (M(w)/M(n)) of the polymer samples is as low as 1.15. 相似文献
190.
V. D. Buchel’nikov N. K. Dan’shin D. M. Dolgushin A. I. Izotov V. G. Shavrov L. T. Tsymbal T. Takagi 《Physics of the Solid State》2005,47(10):1886-1891
The specific features of magnetoacoustic waves propagating in an orthorhombic antiferromagnet with weak ferromagnetism, namely, the Fe3BO6 orthoborate, are investigated experimentally in the vicinity of the spontaneous, first-order orientational phase transition. It is revealed that, at the phase transition point, the amplitude of active acoustic waves interacting with spin waves increases significantly. A phenomenological theory of magnetoelastic waves in orthoferrites is proposed. This theory allows for an intermediate domain structure existing in the range of a first-order orientational phase transition and offers a satisfactory explanation of the experimentally observed anomaly in the amplitude of active acoustic waves. 相似文献