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排序方式: 共有137条查询结果,搜索用时 31 毫秒
91.
92.
Gerard A. van Albada Ilpo Mutikainen Urho Turpeinen Jan Reedijk 《Journal of chemical crystallography》2006,36(4):259-262
A new copper(II) coordination compound with the ligand 2,2′-bipyridine-N-oxide (abbreviated as bpyNO), Cu(bpyNO)2(CF3SO3)2, is described. This compound is investigated in detail by spectroscopy, EPR and X-ray crystal structure analysis. The compound crystallizes in the monoclinic space group P21/n with a = 6.554(1) ?, b = 13.681(3) ?, c = 14.935(3) ?, β = 98.77(3)°, Z = 2. The copper has an axial elongated octahedral geometry with the basal plane formed by two trans-orientated bpyNO molecules with Cu_N distance of 2.008(2) ? and a Cu_O distance of 1.950(2) ?. The axial positions are occupied by oxygen atoms of two trans-oriented triflate anions with a Cu_O distance of 2.397(2) ?. 相似文献
93.
A systematic study on the electron impact mass spectra of all nine chlorinated catechols in presented. Metastable ion analysis was used to elucidate the fragmentation pathways. The influence of the position of the chloro substituents can be used to distinguish the structural isomers. In this respect the most characteristic fragment ions are [M? CHl]+˙, [M? HCOOH]+˙, [M? COCl]+, [M? HCl? CO]+˙, [M? CHOCl]+˙ and [M? HCl? HCl]+˙. 相似文献
94.
Benisvy L Mutikainen I Quesada M Turpeinen U Gamez P Reedijk J 《Chemical communications (Cambridge, England)》2006,(35):3723-3725
The first crystallographic evidences of the theoretically suggested C2-symmetric cyclohexameric form of liquid methanol and the S6-symmetric cyclohexameric form of liquid ethanol are reported, trapped inside a hydrophilic pocket shielded by tert-butyl groups. 相似文献
95.
Tanase S Marqués Gallego P Bouwman E Long GJ Rebbouh L Grandjean F de Gelder R Mutikainen I Turpeinen U Reedijk J 《Dalton transactions (Cambridge, England : 2003)》2006,(13):1675-1684
The synthesis and characterization of two new iron(II) complexes, [Fe(pca)2(py)2].py (1) and {[Fe(pca)2(H2O)].H2O}n (2) and one new iron(III) complex, Na2{[Fe(pca)()]2O}.2H2O.2CH3CN (3) (pca- stands for 2-pyrazinecarboxylate), are reported. Complex 1 is obtained from the reaction of iron powder with 2-pyrazinecarboxylic acid. The reaction of Fe(ClO4)3.10H2O with Hpca in the presence of 3 equiv. of Bu4NOH yields 2, whereas the presence of NaOH yields 3. The molecular structure of 1 contains an iron(II) ion with a pseudo-octahedral environment resulting from the coordination of two pca- ligands in a bidentate chelating fashion and two pyridine molecules; pi-pi stacking interactions between pyridine and pyrazine rings lead to a one-dimensional chain. Complex 2 is an iron(II) coordination polymer with an infinite zig-zag motif and an Fe...Fe separation of 7.1 A. In 2, the pi-pi stacking interactions involving the pyrazine rings and the strong hydrogen bonds between the coordinated water molecule and the carboxylate oxygens of two pca- ligands result in a three-dimensional network structure. Complex 3 consists of an anionic micro-oxo-bridged diiron(III) core with two crystallographically distinct iron(iii) ions; the negative charge is compensated by two sodium cations. Complex 3 is assembled in a three dimensional network structure through coordination of Na(I) and hydrogen bond interactions. Temperature dependent magnetic susceptibility and M?ssbauer spectroscopic studies indicate that 1 and 2 have similar magnetic properties. Both complexes are paramagnetic above 12 K, whereas antiferromagnetic ordering is observed below 12 K. The magnetic properties of reveal strong intramolecular antiferromagnetic interactions between the two iron(III) ions with a J value of -221 cm(-1); no long range intermolecular magnetic coupling is observed between 295 and 4.2 K. 相似文献
96.
Aminou Mohamadou Gerard A. van Albada Ilpo Mutikainen Urho Turpeinen Jrme Marrot Jan Reedijk 《Polyhedron》2009,28(14):2813-2820
Six mononuclear complexes are reported with the tetradentate ligand N,N′-bis(2-pyridylmethyl)-1,3-propanediamine, (abbreviated as pypn) i.e. [Cu(pypn)(ClO4)2](H2O)1/2 (1), [Fe(pypn)Cl2](NO3) (2), [Zn(pypn)Cl](ClO4) (3), [Co(pypn)(NCS)2](ClO4) (4), [Co(pypn)(N3)2](ClO4) (5), [Zn(pypn)(NCS)2] (6). The synthesis and X-ray crystal structures of all six compounds and their spectroscopic properties are presented.The geometry of the Cu2+, Co3+, Zn2+, Fe3+ ions is essentially octahedrally based, with the mm conformation (for Cu) and msf conformations for the other 3 metal ions; in compound 3 the geometry around the Zn2+ is distorted trigonal bipyramidal. The stabilisation of the crystal lattices is maintained by interesting, relative strong hydrogen bonds. 相似文献
97.
Gerard A. van Albada Maarten G. van der Horst Ilpo Mutikainen Urho Turpeinen Jan Reedijk 《Journal of chemical crystallography》2008,38(7):519-523
Abstract Two isostructural mononuclear compounds with formula {[Cd(dipm)(H2O)(ClO4)](dipm)(ClO4)(H2O)} (1) {[Zn(dipm)(H2O)(BF4)](dipm)(BF4)(H2O)} (2) and (in which dipm = bis(pyrimidin-2-yl)amine) have been synthesised and characterised by X-ray crystallography and infrared
spectroscopy. The structure of compound 1 has been solved in the space group P21/n with a = 18.860(4), b = 8.579(2), c = 20.917(4) ?, β = 101.33(3)°, V = 3318.4(12) ?3, Z = 4 with final R = 0.0454. The structure of compound 2 has also been solved in the space group P21/n with a = 19.026(4), b = 8.389(1), c = 20.720(4) ?, β = 101.37(3)°, V = 3242.2(10) ?3, Z = 4 with final R = 0.0689. The geometry around the metal ions is octahedral, and is constituted by four nitrogen atoms from two dipm molecules,
an oxygen atom from a water molecule and a semi-coordinating anion atom ( for compound 1 and for compound 2). In the lattice are also present: a non-coordinating water molecule, an anion molecule and a dipm molecule. For compound
1, the Cd–N distances are between 2.296 and 2.328 ?. The distance is 2.310 ? and the is 2.477 ?. The Zn–N distances in compound 2 are between 2.121 and 2.164 ?. The distance is 2.147 ? and the distance is 2.373 ?. A hydrogen bond interaction of the Watson–Crick type is observed between the amine N atom of a dipm
ligand to a pyrimidyl N atom and a non-coordinating dipm ligand with N···N distances, which vary from 3.066(5) to 3.109(5) ?.
Furthermore medium to strong hydrogen bond interactions are present between oxygen atoms of the water molecules and the anions
of the compounds.
Index Abstract Two isostructural mononuclear compounds with formula {[Cd(dipm)(H2O)(ClO4)](dipm)(ClO4)(H2O)} (1) {[Zn(dipm)(H2O)(BF4)](dipm)(BF4)(H2O)} (2) and (in which dipm = bis(pyrimidin-2-yl)amine) have been synthesised and characterised by X-ray crystallography and infrared
spectroscopy.
.
Electronic supplementary material The online version of this article (doi:) contains supplementary material, which is available to authorized users. 相似文献
98.
Eelke D. van den Bos Ilpo Mutikainen Urho Turpeinen Gerard A. van Albada Jaap G. Haasnoot Jan Reedijk 《Journal of chemical crystallography》2010,40(8):656-660
Abstract
Two coordination compounds copper(II) with tetrafluoridoborate as the anion and [1,2,4]triazolo[1,5-a]pyrimidine (abbreviated as tp) as the ligand are presented, together with their crystal structure and spectroscopic properties. A light blue compound [Cu(tp)4(H2O)2](BF4)2(CH3OH) (1) with a tetragonal chromophore and a dark blue compound [Cu(tp)5](BF4)2(CH3OH) (2) are formed from the same batch. Compound (2) has a quite unusual geometry for Cu(II) with just 5 tp ligands, homoleptically coordinated to the metal ion. Both compounds show interesting hydrogen-bond interactions in the solid state, where coordinated water is intramolecularly bound to non-coordinated N atoms of tp (in 1), and methanol is attached to the anion (in 2). 相似文献99.
Esref Günay Ilpo Mutikainen Urho Turpeinen Gerard A. van Albada Jaap G. Haasnoot Jan Reedijk 《Journal of chemical crystallography》2010,40(11):1006-1010
Abstract
Two newly synthesized coordination compounds copper(II) bromide with the ligand 7-isobutyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine (abbreviated as ibmtp) are presented, together with their 3D crystal structure and spectroscopic and magnetic properties. The compounds are CuBr2(ibmtp)2 (1) (red crystals) and [CuBr(ibmtp)4]Br(H2O)3 (2) (blue crystals). In (1) the Cu(ii) ion is present in a distorted tetrahedral environment, while in (2) the Cu(ii) ion has a square pyramidal geometry. These crystal structures are also the first ones reported with the ligand ibmtp. 相似文献100.
We report evidence of dense, ordered nanodomains in single-component fluid lipid bilayers. Our atomic-scale molecular dynamics simulations suggest that the area available to a lipid acyl chain exhibits large fluctuations, resulting in denser and sparser domains. The sizes of the dense domains can be up to approximately 10 nm, and their lifetimes are of the order of approximately 10 ns. In addition, our simulations suggest that domains of lipids with highly ordered acyl chains form predominantly within the dense regions, their sizes ranging from a few chains up to a few nanometers, and with lifetimes between approximately 10 ps-10 ns. These observations shed light on the origin of experimentally observed fluctuations, as well as on the mechanisms of phase transitions in lipid membranes. 相似文献