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21.
Devi Ritu Singh Jaydip Potukuchi Baba 《International Journal of Theoretical Physics》2022,61(10):1-14
International Journal of Theoretical Physics - We successfully realized symmetric and asymmetric cyclic quantum teleportation by using different controllers for each receiver. In this study, Alice... 相似文献
22.
Bala Ritu Das Debabrata Karanveer Naskar Nabanita Lahiri Susanta 《Journal of Radioanalytical and Nuclear Chemistry》2022,331(6):2561-2572
Journal of Radioanalytical and Nuclear Chemistry - Natural radionuclide levels are studied in alluvial sediments upto the depth of 900 cm. Eighteen profiles are selected from agricultural... 相似文献
23.
Raj?Pal?SharmaEmail author Rajni?Sharma Ritu?Bala Paloth?Venugopalan 《Journal of chemical crystallography》2005,35(8):595-601
The title compound was synthesized by mixing the separately dissolved trans-dichlorobis(ethylenediamine)cobalt(III) chloride and sodium 4-aminobenzoate in aqueous medium in 1:3 molar ratio and recrystallizing the product obtained, from hot water. Elemental analyses and spectroscopic techniques (IR, UV/visible, 1H and 13C NMR) were used for characterizing the complex salt. X-ray structure determination revealed an ionic structure consisting of [Co(en)2(C7H6NO2)2]+ cation, (C7H6NO2)− anion and four lattice water molecules. The complex salt crystallizes in the triclinic space group P
with cell dimensions a = 9.985(1) Å, b = 11.522(1) Å, c = 14.233(1) Å, α = 80.20(1)∘, β = 72.80(1)∘, γ = 86.43(1)∘, Z = 2, V = 1541.3(2) Å3, R1 = 0.0291, and wR2 = 0.0751. 相似文献
24.
We report efficient bulk heterojunction solar cells fabricated by inserting a discotic triphenylene derivative into poly (3-hexylthiophene): [6, 6]- phenyl-C61-butyric acid methyl ester. A layer of molybdenum oxide was inserted between anode and active layer. Power conversion efficiency of 2.0% was achieved for these photovoltaic solar cells containing self-organised discotic liquid crystals in the active layer under one sun condition. The influence of varying the thickness of liquid crystal layer and annealing on these solar cells was also studied. Post annealing the bulk heterojunction devices with discotic liquid crystal layer of thickness 20 nm in them yielded an open circuit voltage of 0.41 V, short circuit current density of 17.0 mA cm?2, a Fill factor of 0.35 and power conversion efficiency of 2.5%. 相似文献
25.
Using a one-pot synthetic approach, a single isomer of bis(diethylenetriamine)cobalt(III) cation, [Co(dien)2]3+ is obtained in bulk from the isomeric mixture (s-fac : u-fac : mer is 7 : 28 : 65) using sodium salts of benzoates (BBz-bromobenzoate, DNBz-dinitrobenzoate, MBz-methylbenzoate) in aqueous medium. Herein, we report the syntheses and characterization of three complexes of composition mer-[Co(dien)2]Cl(p-BBz)2·H2O (1), s-fac-[Co(dien)2](o,p-DNBz)3·H2O (2) and mer-[Co(dien)2]Cl(p-MBz)2·4H2O (3) in the continuation of our earlier work, where benzoate (Bz), p-chlorobenzoate (CBz), p-nitrobenzoate (NBz) and p-aminobenzoate (ABz) were used. The isomeric identification of complex cation was initially made on the basis of spectroscopic characterization (UV–visible, IR and NMR). The binding properties of [Co(dien)2]3+ with benzoates (p-BBz, o,p-DNBz, p-MBz, Bz, CBz, NBz or ABz) have been studied using standard UV–visible spectroscopic titrations in aqueous medium and comparison indicate ion association constants of s-fac > mer. The single-crystal X-ray diffraction structure analysis of 3 reveals the presence of discrete ions ([Co(dien)2]3+, chloride, p-MBz) along with four lattice water molecules. The structure of 3, with formula [Co(dien)2](p-MBz)2Cl·4H2O, consists of alternating layers made of benzoate ions and layers made of [Co(dien)2]3+, chloride and water molecules. These layers result in the formation of their respective columns and intermolecular cohesion of p-MBz within the columns of [Co(dien)2]3+ is achieved via electrostatic and H-bonding interactions. 相似文献
26.
Tripathi AN Chauhan L Thankachan PP Barthwal R 《Magnetic resonance in chemistry : MRC》2007,45(8):647-655
The structural and electronic properties of berberine and berberrubine have been studied extensively using density functional theory (DFT) employing B3LYP exchange correlation. The geometries of these molecules have been fully optimized at the B3LYP/6-311G** level. The chemical shift of 1H and 13C resonances in NMR spectra of these molecules have been calculated using the gauge invariant atomic model (GIAO) method as implemented in Gaussian 98. One- and two-dimensional HSQC (1H-13C), HMBC (1H-13C) and ROESY (1H-1H) spectra were recorded at 500 MHz for the berberine molecule in D(2)O solution. All proton and carbon resonances were unambiguously assigned, and inter-proton distances obtained from ten observed NOE contacts. A restrained molecular dynamics (RMD) approach was used to get the optimized solution structure of berberine. The structure of berberine and berberrubine molecules was also obtained using the ROESY data available in literature. Comparison of the calculated NMR chemical shifts with the experimental values revealed that DFT methods produce very good results for both proton and carbon chemical shifts. The importance of the basis sets to the calculated NMR parameters is discussed. It has been found that calculated structure and chemical shifts in the gas phase predicted with B3LYP/6-311G** are in very good agreement with the present experimental data and the measured values reported earlier. 相似文献
27.
A pentaammineazidocobalt(III) complex, [Co(NH3)5N3](MnO4)2XH2O has been synthesized by an one-pot synthesis method. It was characterized by studies such as infrared (IR) and UV-visible spectroscopy. The single crystal X-ray structure analysis revealed that the title complex crystallizes in space group Cc. The cobalt center is six coordinated with slightly octahedral geometry. The supramolecular architecture is also formed by intermolecular N-H…O (anion and H2O) and Mn-O…O-H hydrogen bonds. The binding property of the cation, [Co(NH3)5N3]2+ with the anion, MnO4– has also been determined (in solution phase) with the help of UV-visible spectroscopic titrations. Further, the genotoxic effects of KMnO4, [Co(NH3)5N3]Cl2 and [Co(NH3)5N3](MnO4)2XH2O were studied using Allium cepa root chromosomal aberration assay and it revealed that the genotoxicity of the newly synthesized complex is 1.97–1.76 fold, which is less compared to KMnO4. The order of genotoxic potential has been observed to be KMnO4 > [Co(NH3)5N3](MnO4)2XH2O > [Co(NH3)5N3]Cl2. 相似文献
28.
Dielectric relaxation studies of binary (jk) polar mixtures of tetrahydrofuran with N-methyl acetamide, N,N-dimethyl acetamide, N-methyl formamide and N,N-dimethyl formamide dissolved in benzene(i) for different weight fractions (w j k ’s) of the polar solutes and mole fractions (x j ’s) of tetrahydrofuran at 25 °C are attempted by measuring the conductivity of the solution under 9.90 GHz electric field using Debye theory. The estimated relaxation time (τ j k ’s) and dipole moment (μ j k ’s) agree well with the reported values signifying the validity of the proposed methods. Structural and associational aspects are predicted from the plot of τ j k and μ j k against x j of tetrahydrofuran to arrive at solute–solute (dimer) molecular association upto x j =0.3 of tetrahydrofuran and thereafter solute–solvent (monomer) molecular association upto x j =1.0 for all systems except tetrahydrofuran + N,N-dimethyl acetamide. 相似文献
29.
30.
Ligand protonation and stepwise dissociation constants, formation constants and speciation of four pyridyl sulfonamide ligands
(Congreeve et al., New J. Chem. 27:98–106, 2003) were assessed, using potentiometric and UV/Visible spectrophotometric pH titrations (in 80% MeOH − 20% H2O). The suitability of these ligands as Cu(II) and Zn(II) sensors for physiological applications was assessed. Two ligands
L1 and L4 were p-toluenesulfonamide derivatives while L2 and L3 were triflurosulfonamide derivatives. Additionally L3 and L4 were appended with α-methyl groups. The most stable complex was formed by L1 with Cu(II) owing to the fact that this complex was square planar (log 10
K
1=12.15±0.004 and log 10
β
2=15.42±0.006). The rest of the complexes invariably formed distorted tetrahedron geometry and complexation was weaker. Speciation
diagrams show the effect of ligand to metal concentration, revealing that the L2 and L3 ligands are the most suitable for forming ML2 complexes at physiological pH. 相似文献