全文获取类型
收费全文 | 73篇 |
免费 | 3篇 |
专业分类
化学 | 30篇 |
数学 | 11篇 |
物理学 | 35篇 |
出版年
2022年 | 1篇 |
2021年 | 1篇 |
2020年 | 1篇 |
2018年 | 1篇 |
2016年 | 2篇 |
2015年 | 1篇 |
2014年 | 3篇 |
2013年 | 4篇 |
2012年 | 4篇 |
2011年 | 4篇 |
2010年 | 1篇 |
2009年 | 3篇 |
2008年 | 5篇 |
2007年 | 6篇 |
2006年 | 7篇 |
2005年 | 5篇 |
2003年 | 1篇 |
2001年 | 1篇 |
2000年 | 1篇 |
1999年 | 2篇 |
1997年 | 1篇 |
1996年 | 1篇 |
1995年 | 1篇 |
1994年 | 1篇 |
1993年 | 2篇 |
1992年 | 2篇 |
1991年 | 2篇 |
1990年 | 1篇 |
1986年 | 1篇 |
1984年 | 1篇 |
1982年 | 5篇 |
1975年 | 1篇 |
1972年 | 1篇 |
1971年 | 1篇 |
1959年 | 1篇 |
排序方式: 共有76条查询结果,搜索用时 0 毫秒
1.
Gridnev ID Alberico E Gladiali S 《Chemical communications (Cambridge, England)》2012,48(16):2186-2188
The mechanism of asymmetric hydrogenation catalyzed by [Rh(NBD)((R)-PhenylBinepine)(2)]SbF(6)1 has been studied by NMR experiments and DFT computations. Either the low-temperature hydrogenation of the catalyst-substrate adduct 4 or the reaction of solvate dihydride 6 with MAC produced the hydrogenation product with over 99% ee (S). 相似文献
2.
Gulzari L. Malli Jacek Styszynski Alberico B. F. Da Silva 《International journal of quantum chemistry》1995,55(3):213-225
Ab initio accurate all-electron relativistic molecular orbital Dirac–Fock self-consistent field calculations are reported for the linear symmetric XeF2 molecule at various internuclear distances with our recently developed relativistic universal Gaussian basis set. The nonrelativistic limit Hartree–Fock calculations were also performed for XeF2 at various internuclear distances. The relativistic correction to the electronic energy of XeF2 was calculated as ~ ?215 hartrees (?5850 eV) by using the Dirac–Fock method. The dominant magnetic part of the Breit interaction correction to the nonrelativistic interelectron Coulomb repulsion was included in our calculations by both the Dirac–Fock–Breit self-consistent field and perturbation methods. The calculated Breit correction is ~6.5 hartrees (177 eV) for XeF2. The relativistic Dirac–Fock as well as the nonrelativistic HF wave functions predict XeF2 to be unbound, due to neglect of electron correlation effects. These effects were incorporated for XeF2 by using various ab initio post Hartree–Fock methods. The calculated dissociation energy obtained using the MP 2(full) method with our extensive basis set of 313 primitive Gaussians that included d and f polarization functions on Xe and F is 2.77 eV, whereas the experimental dissociation energy is 2.78 eV. The calculated correlation energy is ~ ?2 hartrees (?54 eV) at the predicted internuclear distance of 1.986 Å, which is in excellent agreement with the experimental Xe—F distance of 1.979 Å in XeF2. In summary, electron correlation effects must be included in accurate ab initio calculations since it has been shown here that their inclusion is crucial for obtaining theoretical dissociation energy (De) close to experimental value for XeF2. Furthermore, relativistic effects have been shown to make an extremely significant contribution to the total energy and orbital binding energies of XeF2. © 1995 John Wiley & Sons, Inc. 相似文献
3.
We study in the RPA framework the collective response of symmetric, infinite nuclear matter to a spin-isospin sensitive probe with both σ · q and σ × q couplings. The two responses, similar in the low-q region, differ markedly for moderate momenta (?1 fm?1). Indeed the collective effect manifests itself quite differently in the two responses; whereas the longitudinal one displays a softening and an enhancement (due to the attractive character of the associated particle-hole force), the transverse response is quenched and hardened with respect to the free Fermi gas. The existing experimental data, which we analyze, are compatible with our results. We also explore the total strengths and find that for repulsive forces they are appreciably reduced by the RPA correlations. A large part of this quenching comes from the Δ-excitation (LLEE effect), but some reduction is still present even when the nucleonic degrees of freedom are neglected. This illustrates a violation of strength conservation brought about by the RPA correlations in the spin-isospin channel. 相似文献
4.
Benoît Moreau Dino Alberico Vincent N.G. Lindsay André B. Charette 《Tetrahedron》2012,68(17):3487-3496
A Cu(I)-catalyzed asymmetric cyclopropanation of alkenes with an iodonium ylide has been developed. The copper source, hypervalent iodine source, solvent, and additives all have a significant effect on the yields and enantioselectivities. High enantioselectivity (up to 99:1 er) and diastereoselectivity (95:5 dr trans/cis) were achieved for a wide range of alkenes. Conditions were developed to convert the trans products to the cis isomers. In addition, 1-nitrocyclopropyl carboxylates were transformed into the corresponding substituted cyclopropane amino acids and aminocyclopropanes. Moreover, a comparative study between Zn- and In-mediated reduction reactions of the nitro group in these compounds with regards to the er erosion in the process is also documented. 相似文献
5.
Hydrogen transfer reduction processes are attracting increasing interest from synthetic chemists in view of their operational simplicity and high selectivity. In this tutorial review the most significant advances recently achieved in the stereoselective reduction of unsaturated organic compounds catalyzed by homogeneous transition metal complexes are critically reviewed. A sharp growth of the synthetic applications of this technique in the synthesis of fine chemicals is predictable as the use of transition metal catalyzed reactions will become more familiar to synthetic chemists. 相似文献
6.
[reaction: see text] A palladium-catalyzed/norbornene-mediated sequential coupling reaction involving an aromatic sp(2) C-H functionalization as the key step is described, in which an alkyl-aryl bond and an aryl-heteroaryl bond are formed in one pot. A variety of highly substituted six- and seven-membered annulated pyrroles and pyrazoles were synthesized in a one-step process in good yields from readily accessible N-bromoalkyl pyrroles or pyrazoles and aryl iodides. 相似文献
7.
Alberico E Baumann W de Vries JG Drexler HJ Gladiali S Heller D Henderickx HJ Lefort L 《Chemistry (Weinheim an der Bergstrasse, Germany)》2011,17(45):12683-12695
The mechanism of the asymmetric hydrogenation of methyl (Z)-2-acetamidocinnamate (mac) catalysed by [Rh(MonoPhos)(2)(nbd)]SbF(6) (MonoPhos: 3,5-dioxa-4-phosphacyclohepta[2,1-a:3,4-a']dinaphthalen-4-yl)dimethylamine) was elucidated by using (1)H, (31)P and (103)Rh NMR spectroscopy and ESI-MS. The use of nbd allows one to obtain in pure form the rhodium complex that contains two units of the ligand. In contrast to the analogous complexes that contain cis,cis-1,5-cyclooctadiene (cod), this complex shows well-resolved NMR spectroscopic signals. Hydrogenation of these catalyst precursors at 1 bar total pressure gave rise to the formation of a bimetallic complex of general formula [Rh(MonoPhos)(2)](2)(SbF(6))(2); no solvate complexes were detected. In the dimeric complex both rhodium atoms are ligated to two MonoPhos ligands but, in addition, each rhodium atom also binds to one of the binaphthyl rings of a ligand that is bound to the other rhodium metal. Upon addition of mac, a mixture of diastereomeric complexes [Rh(MonoPhos)(2)(mac)]SbF(6) is formed in which the substrate is bound in a chelate fashion to the metal. Upon hydrogenation, these adducts are converted into a new complex [Rh(MonoPhos)(2){mac(H)(2)}]SbF(6) in which the methyl phenylalaninate mac(H)(2) is bound through its aromatic ring to rhodium. Addition of mac to this complex leads to displacement of the product by the substrate. No hydride intermediates could be detected and no evidence was found for the involvement at any stage of the process of complexes with only one coordinated MonoPhos. The collected data suggest that the asymmetric hydrogenation follows a Halpern-like mechanism in which the less abundant substrate-catalyst adduct is preferentially hydrogenated to phenylalanine methyl ester. 相似文献
8.
Lifchits O Alberico D Zakharian I Charette AB 《The Journal of organic chemistry》2008,73(17):6838-6840
Nucleophilic ring opening of methyl 1-nitrocyclopropanecarboxylates by phenol derivatives in the presence of Cs2CO3 is described. The reaction tolerates a variety of substituents on both the aromatic alcohol and the cyclopropane and affords the products in good yields (53-84%) and with complete preservation of the enantiomeric excess at C-4. The methodology was applied in an enantioselective synthesis of the norepinephrine reuptake inhibitor atomoxetine (Strattera). 相似文献
9.
A route to annulated indoles via a palladium-catalyzed tandem alkylation/direct arylation reaction 总被引:1,自引:0,他引:1
A norbornene-mediated palladium-catalyzed tandem alkylation/C-H functionalization sequence is described, in which an alkyl-aryl bond and a heteroaryl-aryl bond are formed in one pot. A variety of highly substituted six- and seven-membered ring annulated indoles were synthesized in good yields from bromoalkyl indoles and aryl iodides. 相似文献
10.
W. M. Alberico P. Czerski A. De Pace V. R. Manfredi 《Zeitschrift für Physik A Hadrons and Nuclei》1994,348(1):17-23
We consider a slab of nuclear matter and investigate the collective excitations, which develop in the response function of the system. We introduce a finiterange realistic interaction among the nucleons, which reproduces the full G-matrix by a linear combination of gaussian potentials in the various spin-isospin channels. We then analyze the collective modes of the slab in theS=T=1 channel: for moderate momenta hard and soft zero-sound modes are found, which exhaust most of the excitation strength. At variance with the results obtained with a zero range force, new “massive” excitations are found for the vector-isovector channel. 相似文献