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Shuvendu S. Bhattacharyya Bandana Mandal A. K. Das 《Fresenius' Journal of Analytical Chemistry》1996,355(2):180-182
An electrothermal atomic absorption spectrometric method is described for the determination of manganese in various coal fly ash samples after its separation with dissolved monothioxo--diketone as chelating ion exchanger. The detection limit is 1 ngml-1. To study the accuracy of the method, a reference material of similar composition was analysed and recovery of spiked manganese was performed. 相似文献
24.
Ab initio supermolecular SCF calculations at the STO-3G level are reported for the diacetylene-hydrogen fluoride complexes. The reverse
σ-complex is predicted to have somewhat higher stability and H-bond strength than the π-complexes. 相似文献
25.
A procedure is tested for directly calculating exciation energies for spin-conserving and spin-forbidden transitions using a spin-adapted coupled-cluster based linear response theory. The excited states are generated from the ground state through an excitation operator S, a combination of various nh—np excitations of spin-rank zero and one for singlet and triplet excitations. 相似文献
26.
S. Bhattacharyya A. N. Sil T. K. Mukherjee P. K. Mukherjee P. Vasu 《International journal of quantum chemistry》2007,107(4):946-951
Electron affinity of plasma embedded muonium (μ+e?) and pionium (π+e?) has been estimated using a general three‐body formalism within variational framework. Electron correlation is taken care of using extended Hylleraas basis sets. The stability of the three‐body systems have been studied under the Debye screening model of the plasma, which changes the Coulombic potential to the screened Coulomb one. The electron affinity of the muonium and pionium is maximum for free systems, and it decreases gradually toward zero with increase of the plasma strength, which tends to push the three‐body system toward gradual instability. The electron correlation contribution to the affinity has been analyzed. © 2006 Wiley Periodicals, Inc. Int J Quantum Chem, 2007 相似文献
27.
We show that two simple semiclassical strategies, one based on the Wilson–Sommerfeld rule and the other on the uncertainty principle, yield the exact modified form of the virial theorem for confined systems. An alternative, easier quantum mechanical route to arrive at this result is also sketched. Pilot calculations on confined oscillators reveal decisive trends. © 2004 Wiley Periodicals, Inc. Int J Quantum Chem, 2005 相似文献
28.
Bhattacharyya S Fan L Vo L Labadie J 《Combinatorial chemistry & high throughput screening》2000,3(2):117-124
Amine libraries and their derivatives are important targets for high throughput synthesis because of their versatility as medicinal agents and agrochemicals. As a part of our efforts towards automated chemical library synthesis, a titanium(IV) isopropoxide mediated solution phase reductive amination protocol was successfully translated to automation on the Trident(TM) library synthesizer of Argonaut Technologies. An array of 24 secondary amines was prepared in high yield and purity from 4 primary amines and 6 carbonyl compounds. These secondary amines were further utilized in a split synthesis to generate libraries of ureas, amides and sulfonamides in solution phase on the Trident(TM). The automated runs included 192 reactions to synthesize 96 ureas in duplicate and 96 reactions to synthesize 48 amides and 48 sulfonamides. A number of polymer-assisted solution phase protocols were employed for parallel work-up and purification of the products in each step. 相似文献
29.
Isocratic reversed-phase liquid chromatography (LC) method was developed using acetonitrile and water for the determination of diospyrin, a pharmacologically important bisnaphthoquinonoid plant-product. The method was validated for precision, accuracy and reproducibility, and was found to be linear over the concentration range of 1-1000 microg/ml; the limits of detection and quantitation were 8 and 20 ng, respectively. The technique was used to determine the amount of diospyrin in plant extracts from four climatic regions in India. It was also applied for differentiation and separation of 27 naphthyl compounds. While a composition of 50:50 was preferable for dimeric compounds, the composition 40:60 was a better choice for the monomers. Also, the isomeric alpha- and beta-naphthols and their dimers could be distinguished by conversion into the respective methyl ethers. 相似文献
30.
D. K. Bhattacharyya N. C. Dutta A. De 《Journal of Radioanalytical and Nuclear Chemistry》1990,140(1):121-131
The uptake of 22 cations at tracer concentrations has been studied over hydrous tin dioxide exchanger material. A granular variety of tin dioxide was prepared from the reaction of tin(IV) chloride with NaOH solution, and the formula of the material was ascertained to be SnO2·1.7 H2O. Radiochemical separation of carrier-free234Th from238U and113mIn from113Sn was achieved over a tin dioxide column. The separated products were of high radionuclidic purity. The overall separation procedures are very simple and quick with quantitative yield. 相似文献