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71.
Kanoo P Ghosh AC Cyriac ST Maji TK 《Chemistry (Weinheim an der Bergstrasse, Germany)》2012,18(1):237-244
A 3D porous Zn(II) metal-organic framework {[Zn(2)(H(2)dht)(dht)(0.5)(azpy)(0.5)(H(2)O)]·4H(2)O} (1; H(2)dht=dihydroxyterphthalate, azpy=4,4'-azobipyridine) has been synthesised by employing 2,5-dihydroxyterephthalic acid (H(4)dht), a multidentate ligand and 4,4'-azobipyridine by solvent-diffusion techniques at room temperature. The as-synthesised framework furnishes two different types of channels: one calyx-shaped along the [001] direction and another rectangle-shaped along the [101] direction occupied by guest water molecules. The dehydrated framework, {[Zn(2)(H(2)dht)(dht)(0.5)(azpy)(0.5)]} (1') provides 52.7% void volume to the total unit-cell volume. The pore surfaces of 1' are decorated with unsaturated Zn(II) sites and pendant hydroxyl groups of H(2)dht linker, thereby resulting in a highly polar pore surface. The dehydrated framework 1' shows highly selective adsorption of CO(2) over other gases, such as N(2), H(2), O(2) and Ar, at 195 K. Photoluminescence studies revealed that compound 1 exhibits green emission (λ(max)≈530 nm) on the basis of the excited-state intramolecular proton-transfer (ESIPT) process of the H(2)dht linker; no emission was observed in dehydrated solid 1'. Such guest-induced on/off emission has been correlated to the structural transformation and concomitant breaking and reforming of the OH···OCO hydrogen-bonding interaction in the H(2)dht linker in 1'/1. 相似文献
72.
Biplab Das Shekhar Kumar P. Mondal U. Kamachi Mudali R. Natarajan 《Journal of Radioanalytical and Nuclear Chemistry》2012,292(3):1161-1171
Red-oil is a mixture of nonspecific composition consisting of extractant, degradation products, nitrated solvent and unidentified
red-coloured nitro-organics. Red-oil formation is coupled with decomposition of extractant and diluent into gases of explosive
nature. If ignited or incinerated, these gases may cause rapid pressurization and endanger the integrity of containment. Such
an event occurred at Tomsk-7 facility in 1993. To ensure safe operation, red-oil formation has to be avoided in the fuel cycle
facilities by a careful combination of several independent measures like strict control over temperature, limiting organic
entrainment in the aqueous streams (which are to be concentrated by evaporation) and control over acidity of aqueous phases.
Since tri-iso amyl phosphate (TiAP) has much lower aqueous solubility as compared to TBP, it is visualized as alternate solvent for PUREX
process. In this work, TiAP red-oil was synthesized and characterized. 相似文献
73.
Subhajit Laha Nimish Dwarkanath Abhishek Sharma Darsi Rambabu Sundaram Balasubramanian Tapas Kumar Maji 《Chemical science》2022,13(24):7172
Light hydrocarbon separation is considered one of the most industrially challenging and desired chemical separation processes and is highly essential in polymer and chemical industries. Among them, separating ethylene (C2H4) from C2 hydrocarbon mixtures such as ethane (C2H6), acetylene (C2H2), and other natural gas elements (CO2, CH4) is of paramount importance and poses significant difficulty. We demonstrate such separations using an Al-MOF synthesised earlier as a non-porous material, but herein endowed with hierarchical porosity created under microwave conditions in an equimolar water/ethanol solution. The material possessing a large surface area (793 m2 g−1) exhibits an excellent uptake capacity for major industrial hydrocarbons in the order of C2H2 > C2H6 > CO2 > C2H4 > CH4 under ambient conditions. It shows an outstanding dynamic breakthrough separation of ethylene (C2H4) not only for a binary mixture (C2H6/C2H4) but also for a quaternary combination (C2H4/C2H6/C2H2/CO2 and C2H4/C2H6/C2H2/CH4) of varying concentrations. The detailed separation/purification mechanism was unveiled by gas adsorption isotherms, mixed-gas adsorption calculations, selectivity estimations, advanced computer simulations such as density functional theory (DFT), grand canonical Monte Carlo (GCMC) and ab initio molecular dynamics (AIMD), and stepwise multicomponent dynamic breakthrough experiments.Industrially important C2H4 purification from multi-component hydrocarbon mixtures. 相似文献
74.
Dr. Venkata Suresh Mothika Dr. Papri Sutar Parul Verma Dr. Shubhajit Das Prof. Dr. Swapan K. Pati Prof. Dr. Tapas Kumar Maji 《Chemistry (Weinheim an der Bergstrasse, Germany)》2019,25(15):3867-3874
Bandgap engineering in donor–acceptor conjugated microporous polymers (CMPs) is a potential way to increase the solar-energy harvesting towards photochemical water splitting. Here, the design and synthesis of a series of donor–acceptor CMPs [tetraphenylethylene (TPE) and 9-fluorenone (F) as the donor and the acceptor, respectively], F0.1CMP , F0.5CMP , and F2.0CMP , are reported. These CMPs exhibited tunable bandgaps and photocatalytic hydrogen evolution from water. The donor–acceptor CMPs exhibited also intramolecular charge-transfer (ICT) absorption in the visible region (λmax=480 nm) and their bandgap was finely tuned from 2.8 to 2.1 eV by increasing the 9-fluorenone content. Interestingly, they also showed emissions in the 540–580 nm range assisted by the energy transfer from the other TPE segments (not involved in charge-transfer interactions), as evidenced from fluorescence lifetime decay analysis. By increasing the 9-fluorenone content the emission color of the polymer was also tuned from green to red. Photocatalytic activities of the donor–acceptor CMPs ( F0.1CMP , F0.5CMP , and F2.0CMP ) are greatly enhanced compared to the 9-fluorenone free polymer ( F0.0CMP ), which is essentially due to improved visible-light absorption and low bandgap of donor–acceptor CMPs. Among all the polymers F0.5CMP with an optimum bandgap (2.3 eV) showed the highest H2 evolution under visible-light irradiation. Moreover, all polymers showed excellent dispersibility in organic solvents and easy coated on the solid substrates. 相似文献
75.
76.
S. K. Ghosal Biplab Raychaudhuri Anjan Kumar Chowdhury Minakshi Sarker 《Foundations of Physics Letters》2003,16(6):549-563
In this paper we critically examine a recently posed paradox (tippe top paradox in relativity) and its suggested resolution. A tippe top when spun on a table, tips over after a few rotations and eventually stands spinning on its stem. The ability of the top to demonstrate this charming feat depends on its geometry (all tops are not tippe tops). To a rocket-bound observer the top geometry should change because of the Lorentz contraction. This gives rise to the possibility that for a sufficiently fast observer the geometry of the top may get altered to such an extent that the top may not tip over! This is certainly paradoxical since a mere change of the observer cannot alter the fact that the top tips over on the table. In an effort to resolve the issue the authors of the paradox compare the equations of motion of the particles of the top from the perspective of the inertial frames of the rocket and the table and observe among other things that (1) the relativity of simultaneity plays an essential role in resolving the paradox and (2) the puzzle in some way is connected with one of the corrolaries of special relativity that the notion of rigidity is inconsistent with the theory. We show here that the question of the incompatibility of the notion of rigidity with special relativity has nothing to do with the current paradox and the role of the lack of synchronization of clocks in the context of the paradox is grossly over-emphasized. The conventionality of simultaneity of special relativity and the notion of the standard (Einstein) synchrony in the Galilean world have been used to throw light on some subtle issues concerning the paradox. 相似文献
77.
We propose a variant of the time-dependent multi-configuration Hartree method within the framework of Fourier grid Hamiltonian
method. The workability of the method proposed is demonstrated with a well-known coupled two-mode problem. 相似文献
78.
Saayak Halder Narendra Nath Jha Soumik Ray Surabhi Mehra Vipin Agarwal Samir K. Maji 《Angewandte Chemie (International ed. in English)》2018,57(19):5262-5266
α‐Synuclein (α‐Syn) aggregation is associated with Parkinson's disease (PD) pathogenesis. In PD, the role of oligomers versus fibrils in neuronal cell death is debatable, but recent studies suggest oligomers are a proximate neurotoxin. Herein, we show that soluble α‐Syn monomers undergo a transformation from a solution to a gel state on incubation at high concentration. Detailed characterization of the gel showed the coexistence of monomers, oligomers, and short fibrils. In vitro, the gel was highly cytotoxic to human neuroblastoma cells. The individual constituents of the gel are short‐lived species but toxic to the cells. They comprise a structurally heterogeneous population of α‐helical and β‐sheet‐rich oligomers and short fibrils with the cross‐β motif. Given the recent evidence of the gel‐like state of the protein associated with neurodegenerative diseases, the gel state of α‐Syn in this study represents a mechanistic and structural model for the in vivo toxicity of α‐Syn in PD. 相似文献
79.
Panchanan Puzari Biplab Sarkar Satrajit Adhikari 《International journal of quantum chemistry》2005,105(3):209-224
The time‐dependent discrete variable representation (TDDVR) of a wave function with grid points defined by the Hermite part of the Gauss–Hermite (G‐H) basis set introduces quantum corrections to classical mechanics. The grid points in this method follow classical trajectory and the approach converges to the exact quantum formulation with sufficient trajectories (TDDVR points) but just with a single grid point; only classical mechanics performs the dynamics. This newly formulated approach (developed for handling time‐dependent molecular quantum dynamics) has been explored to calculate vibrational transitions in the inelastic scattering processes. Traditional quantum mechanical results exhibit an excellent agreement with TDDVR profiles during the entire propagation when enough grid points are included in the quantum‐classical dynamics. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2005 相似文献
80.
Maji T. K. Das D. Sain S. Ray Chaudhuri N. 《Journal of Thermal Analysis and Calorimetry》2002,68(1):319-328
CuL2C4O4 [L=ethane-1,2-diamine (en)], CuL2C4O4⋅2H2O [L=N-methylethane-1,2-diamine (meen), N-ethylethane-1,2-diamine (eten),N-propylethane-1,2-diamine (pren), N-methyl-N’-ethylethane-
1,2-diamine (meeten) andpropane-1,2-diamine (pn)], CuL2C4O4⋅0.5H2O [L=N,N’-dimethylethane- 1,2-diamine (dmeen)], CuL2C4O4⋅4H2O [L=propane-1,2-diamine (pn)]and CuL2C4O4⋅H2O[L=2-methylpropane-1,2-diamine (ibn)] have been synthesized by the addition of respective diamine to finely powdered CuC4O4⋅2H2O and their thermal studies have been carried out in the solid state. Cu(en)2C4O4 upon heating loses one molecule of diamine with shar pcolour change yielding Cu(en)C4O4 which upon further heating transforms to unidentified products. All aquated-bis-diamine species [CuL2C4O4⋅2H2O, CuL2C4O4⋅0.5H2O and CuL2C4O4⋅H2O] upon heating undergo deaquation–anation reaction in the solid state showing thermochromism and transform to CuL2C4O4, which revert on exposure to humid atmosphere (RH ∼90%). All the squarato bis-diamine species, CuL2C4O4, on further heating transform to unidentified products through the formation of CuLC4O4 as intermediates. The mono diamine species, have been isolated pyrolytically in the solid state and can be stored in a desiccator
as well as in open atmosphere. They are proposed to be polymeric.
This revised version was published online in August 2006 with corrections to the Cover Date. 相似文献