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61.
62.
Munshi G Mustafa Sudhir Raniwala T Awes B Rai RS Bhalerao JG Contreras RV Gavai SK Ghosh P Jaikumar GC Mishra AP Mishra H Mishra B Mohanty J Nayak J-Y Ollitrault SC Phatak L Ramello R Ray PK Sahu AM Srivastava DK Srivastava VK Tiwari 《Pramana》2006,67(5):961-981
This is the report of Heavy Ion Physics and Quark-Gluon Plasma at WHEPP-09 which was part of Working Group-4. Discussion and
work on some aspects of quark-gluon plasma believed to have created in heavy-ion collisions and in early Universe are reported. 相似文献
63.
64.
65.
J. I. F. Paixo J. A. R. Salvador J. A. Paixo A. Matos Beja M. Ramos Silva A. M. d'A. Rocha Gonsalves 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(9):o630-o632
In the title compound, C21H31N3O4, a potential inhibitor of aromatase, all rings are fused trans. Rings A, B and C have chair conformations which are slightly flattened. Ring D has a 14α‐envelope conformation. The steroid nucleus has a small twist, as shown by the C19—C10⋯C13—C18 torsion angle of 6.6 (2)°. Ab initio calculations of the equilibrium geometry of the molecule reproduce this small twist, which appears to be due to the steric effect of the 6β‐azide substituent rather than to packing effects. 相似文献
66.
J. I. F. Paixo J. A. R. Salvador J. A. Paixo A. Matos Beja M. Ramos Silva A. M. d'A. Rocha Gonsalves 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(1):o72-o74
In the title compound, C21H30O3, a potential inhibitor of aromatase, all rings are fused trans. Rings A and C have chair conformations which are slightly flattened, whereas the conformation of ring B is close to a half‐chair. Ring D has a 14α‐envelope conformation. The steroid nucleus has a small twist, as shown by the C19—C10⋯C13—C18 (steroid numbering) torsion angle of −6.9 (3)°. Ab initio calculations of the equilibrium geometry of the molecule reproduce this small twist, which appears to be due to the conformation of ring B rather than to packing effects. 相似文献
67.
M. Ramos Silva A. Matos Beja J. A. Paixo J. Martin‐Gil 《Acta Crystallographica. Section C, Structural Chemistry》2005,61(12):m507-m509
The crystal structure of the title compound, (H3O)[Cu2(C4H8NO2)2Cl3(H2O)2], contains two CuII ions bridged by the carboxylate group of a dimethylglycinate ion in an anti–anti configuration. The CuII atoms both have an approximately square‐pyramidal conformation geometry and are 5.977 (2) Å apart. The two dimethylglycinate ligands have similar conformations, although they play different roles in the structure. A weak antiferromagnetic interaction between the two copper ions could be inferred from the magnetic susceptibility measurements. 相似文献
68.
M. Ramos Silva J.A. Paixão A. Matos Beja L. Alte da Veiga 《Journal of chemical crystallography》2000,30(6):411-414
L-arginine fluoride is a promising compound that exhibits nonlinear optical properties. It efficiently converts two single photons of the same polarization and frequency to one photon of frequency 2 (type I phase matching). C6H15N4O2
+F– is monoclinic, space group P21, a = 5.4475(4) Å, b = 8.5133(6) Å, c = 10.2195(7) Å, = 93.475(6)°. The cation has a zwitterionic form, protonated at both the guanidyl and amino groups. The arginine C atom is in a trans position to the carboxyl group. A complex three-dimensional hydrogen bond network links the anions and cations together. 相似文献
69.
Simões PN Pedroso LM Beja AM Silva MR MacLean E Portugal AA 《The journal of physical chemistry. A》2007,111(1):150-158
This paper provides an overview of recent progress on structural data on the title compound. Theoretical work based on quantum mechanical calculations was performed to gain some understanding on the heterocyclic tautomerism potentially exhibited by the compound. The computational studies encompassed a wide range of tautomers/conformers, allowing the determination of the most probable molecular structure. In the gas phase, the nitroimine tautomers are computed to be substantially more stable than the nitramine tautomers. Among three plausible nitroimine forms, special attention was given to 4,6-bis(nitroimino)-1,3,5-triazinan-2-one, whose crystal structure was unequivocally solved by X-ray diffraction. The crystals are orthorhombic, space group Pnma with a = 6.187(2)A, b = 13.252(5)A, c = 8.802(4)A, and Z = 4. The structure was solved by direct methods and refined to a final R = 0.0326. The molecule has an approximate mirror plane relating the two symmetry related halves. The nitroimine groups are positioned in a syn-syn conformation. The least-squares (LS) plane of the heterocyclic ring and the nitroimine ([double bond]N-NO2) substituent LS plane make an angle of 10.05(11) degrees. The crystal structure is held together via hydrogen bonds that assemble the molecules in chains running along the b-axis. Every H-atom is involved in bifurcated hydrogen bonds. 相似文献
70.
Manuela Ramos Silva Ana Matos Beja José A. Paixão Sérgio R. Domingos Jesús Martín-Gil 《Journal of chemical crystallography》2007,37(1):49-53
A new rubidium complex, rubidium diphenylacetate diphenylacetic acid has been synthesised and characterised by single-crystal
X-ray diffraction: triclinic, P
with a=7.437(3) ?, b=12.377(4) ?, c=14.384(3) ?, α=107.08(2)°, β=103.67(2)°, γ=96.95(3)°, Mr=508.93, V=1203.6(6) ?3, Z=2. The diphenylacetic molecules bridge the metallic ions forming an infinite ladder structure. Two strong hydrogen bonds
link the organic moieties.
Supplementary materials Crystallographic data for structural analysis have been deposited with the Cambridge Crystallographic Data Center, CCDC No.
602647. Copies of this information may be obtained free of charge on application to CCDC, 12 Union Road, Cambridge CB2 1EZ,
UK (fax: +44 1223 336 033; e-mail: deposit@ccdc.cam.ac.uk or http://www.ccdc.cam.ac.uk). 相似文献