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1.
Novikov V. S. Kuznetsov S. M. Kuzmin V. V. Prokhorov K. A. Sagitova E. A. Darvin M. E. Lademann J. Ustynyuk L. Yu. Nikolaeva G. Yu. 《Doklady Physics》2021,66(9):257-263
Doklady Physics - The dependence of Raman spectra of the molecules containing polyene chains on the conjugation length, structure of side and end groups, and isomer type is analyzed theoretically. 相似文献
2.
Cyclization of N‐arylcyclopropanecarboxamides into N‐arylpyrrolidin‐2‐ones under electron ionization and in the condensed phase 下载免费PDF全文
3.
4.
L. Yu. Ustynyuk D. V. Besedin I. E. Nifant’ev E. A. Fushman Yu. A. Ustynyuk V. V. Lunin 《Moscow University Chemistry Bulletin》2009,64(6):343-365
The paper is a review of a series of publications devoted to a number of homogeneous and heterogeneous catalytic reactions,
their mechanisms, and energy characteristics. These reactions are promoted by coordination unsaturated compounds of Ti and
Zr and proceed with cleavage and/or formation of C-C and C-H bonds in the hydrocarbon chain (polymerization reaction of ethylene,
styrene, and butadiene-1,3, hydrogenolysis and hydroisomerization of linear and branched alkanes, and H/D isotope exchange
in alkanes). A high-level quantum chemical method (DFT, PBE functional, gauss type TZ2p basis sets, the original PRIRODA program)
was applied for the catalytic systems under the study. The nature and the structure of the active center, detailed mechanisms,
and energy profile of the reaction of the substrate with a catalytic particle are considered. We compare our data with the
results of both experimental and theoretical contributions from other authors. 相似文献
5.
P. V. Ivchenko I. E. Nifant’ev L. Yu. Ustynyuk V. A. Ezerskii 《Russian Chemical Bulletin》2009,58(5):929-935
The acid-catalyzed cyclization of 1-(3,4-dialkylaryl)-3-chloropropan-1-ones to dialkylindanones via the intermediate formation of (3,4-dialkylaryl)propenones was studied. This reaction affords isomeric products: 5,6-dialkylindan-1-ones
and 4,5-dialkylindan-1-ones. The DFT quantum chemical calculation results correlate with the experimental data and suggest
that the structural factors affect the ratio of products. 相似文献
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The Kirkwood-Buff statistical mechanical theory of surface tension γ for monatomic fluids is extended to molecular fluids. A rigorous expression for γ is derived in terms of the angular pair distribution function f(z 1 R 12θ1θ2) of an equilibrium fluid-fluid system (liquid-gas, liquid-liquid, or gas-gas). The Fowler approximation is applied for the liquid-gas case, and a simple expression for γ is derived in terms of the bulk liquid angular pair correlation function g(R 12θ1θ2). Thermodynamic perturbation theory for g(R 12θ1θ2) is also used to calculate γ theoretically. The theoretical results are compared with experimental values. 相似文献
8.
Nikolai A. Ustynyuk Oleg V. Gusev Lyudmila N. Novikova Mikhail G. Peterleitner Larisa I. Denisovich Tat’yana A. Peganova Oleg V. Semeikin Dmitry A. Valyaev 《Journal of Solid State Electrochemistry》2007,11(12):1621-1634
In this review, redox-induced reactions of π- and σ,π-complexes leading to the selective formation (or cleavage) of C–H, C–C,
and C–O bonds have been summarized. To illustrate the synthetic potential of such methodology, the following representative
reactions studied in our group are discussed: (1) oxidatively induced hydrogen elimination from “open” cyclic diene and dienyl
complexes resulting in formation of “closed” dienyl and arene complexes, respectively; (2) reductive activation of C–H bonds
in diene, vinylidene, and carbyne complexes forming new multiple C–C bonds; (3) oxidative dehydrodimerization of vinylidene
complexes into binuclear μ-divinylidene species; and (4) oxidatively induced addition of oxygen nucleophiles to μ-divinylidene
complexes affording cyclic μ-dicarbene derivatives.
Oleg V. Gusev, deceased on October 31. 相似文献
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Sessler JL Roznyatovskiy V Pantos GD Borisova NE Reshetova MD Lynch VM Khrustalev VN Ustynyuk YA 《Organic letters》2005,7(23):5277-5280
[reaction: see text] Two easy-to-synthesize polypyrrolic 2,5-diamidothiophene Schiff base macrocycles are reported, along with their anion binding properties as determined via UV-vis spectroscopic titrations carried out in dichloroethane. There is a striking difference between the interactions with anions of the two macrocycles, a finding ascribed to differences in their rigidity. For example, the more flexible dipyrromethane-derived macrocycle displays a 1.2:1 hydrogen sulfate versus nitrate selectivity, while its more rigid bipyrrole-derived congener shows a 7.4:1 selectivity in favor to hydrogen sulfate. 相似文献