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1.
Journal of Thermal Analysis and Calorimetry - Nanofluids have gained recent attention because of their potential applications in diverse engineering fields like enhancing thermal transport,...  相似文献   
2.
Microwave-induced organic reaction enhancement (‘MORE’) chemistry technique (open vessel; controlled microwave energy to stay below the boiling point of the reaction mixture) was used for the N-formylation of aliphatic and aromatic amines and amino heterocycles with aq formic acid (80%) on a multiple gram scale in a few minutes.  相似文献   
3.
Using radical chemistry novel highly condensed heterocycles have been synthesized. The mechanism for their formation is discussed.  相似文献   
4.
Risk related to long-term care (LTC) is high for the elderly. Planning for LTC is now regarded as the ‘third leg’ of retirement planning. In this paper, planning for LTC is integrated with saving and investment decisions for an integrated approach to retirement planning. Optimal LTC insurance purchase decisions are obtained by developing a trade-off between post-retirement LTC costs and LTC insurance premiums paid and coverage received. Integrating insurance purchase with wealth evolution, consisting of saving and investment decisions, allows addressing affordability issues.Two-way branching models are used for the stochastic health events and asset returns. The problem, formulated as a nonlinearly constrained mixed-integer optimization problem, is solved using a heuristic. Sensitivity analyses are performed for initial health and wealth status. Some important aspects of an individual’s behavioral preferences are also addressed in this framework to provide more robust decision support.  相似文献   
5.
A computational study ab initio of the conformational dependence of proton affinities of 2-methoxyethoxide (MEO), dimethoxyethane (DME), and 1,4-dioxane has been carried out at the MP2/6-31+G level of theory. The results were discussed in comparison with reference systems, from simple alkoxides and ethers to anomeric moieties, in open, cyclic, and bicyclic molecules. The COCCOC species are stronger bases than the COCOC (anomeric) ones and approach regular ethers in their strength. The gauche forms in MEO and DME are altogether stronger bases than the anti forms, and anti (equatorial) protonation is preferred over gauche (axial), unless ditopic protonation is possible, like in aga-DME or cis-tetraoxadecalin. The gauche effect plays a significant role in the formation, relative stability, and reactivity of the charged species.  相似文献   
6.
Gas-phase proton affinities of cyclophanes containing intra-annular amino groups were calculated using density functional theory (DFT) at the B3LYP/6-31+G∗∗//B3LYP/6-31G level. They are higher in magnitude as those for proton sponges such as 1,8-bisaminonaphthalene, however, they are slightly weaker bases than 1,8-bis(dimethylamino)naphthalene. The high basicity of the cyclophane diamines is attributed mainly to their structural flexibility, which allows them to maximize the hydrogen bond strength in the cations by achieving N-H?N linearity, while strain relief upon protonation is less important. Another contributing factor is the stabilizing interaction of the added proton with adjacent phenyl π systems of the cyclophanes. Barriers for proton transfer between the nitrogen atoms of the diamine cations are also reported.  相似文献   
7.
Lanthanide nitrate complexes of diphosphazane dioxides Ph2P(O)N(Pri)P(O)Ph2 ( 1 ) and (PhO)2P(O)N(Me)P(O)(OPh)2 ( 2 ) have been synthesised and studied by conductometry, IR, multinuclear NMR spectroscopic methods and X-ray diffraction. Ligand 2 is accessible by two different methods, viz., by direct oxidation of the phosp(III)azane ligand or by starting from phosph(V)azane chloro precursor. The structure of 2 is confirmed by X-ray diffraction. Crystallographic data for 2 : Triclinic, Space group P1 , a = 10.078(1), b = 10.575(3), c = 12.364(4) Å, α = 75.70(2)°, α = 75.56(1)°, γ = 77.68(1)°, Z = 2, V = 1 220 Å3; structure refined to RF = 0.0459 on 3 495 data with F > 3σ(F). The diphosphazane dioxide ligand exhibits trans geometry in the solid state. The structure of a lanthanide complex, [Pr(NO3)3( 2 )2] ( 14 ) is also determined by X-ray diffraction. Crystallographic data for 14 : Trigonal, Space group P32, a = b = 15.710(2), c = 40.067(2) Å, Z = 6, V = 8 564 Å3; structure refined to RF = 0.0430 on 8 077 data with F > 5σ(F). The two diphosphazane dioxide ligands and the nitrate groups are coordinated to praseodymium in a bidentate chelate fashion. The geometry around the ten coordinated metal is distorted bicapped square antiprism.  相似文献   
8.
Photoacoustic spectroscopy of solids and surfaces   总被引:1,自引:0,他引:1  
After briefly reviewing the theory and instrumentation, results from a variety of experiments carried out by the authors on the photoacoustic spectroscopy of solids and surfaces by employing an indigenous spectrometer are discussed in the light of the recent literature. Some of the important findings discussed are, phase angle spectroscopy, anomalous behaviour of monolayers, unusual frequency dependence in small cell volumes, spectra of a variety of solids including amorphous arsenic chalcogenides, photoacoustic detection of phase transitions and determination of surface areas and surface acidities of oxides. Recent developments such as piezoelectric photoacoustic spectroscopy, depth profiling and subsurface imaging are also presented. Contribution No. 124 from the Solid State and Structural Chemistry Unit.  相似文献   
9.
Electronic and magnetic properties of Ln1?xSrxCoO3 (Ln = Pr, Nd, Sm, Eu, and Gd) systems show that above a critical value of x, the d electrons become itinerant while the materials become ferromagnetic at low temperatures. The ferromagnetic component increases with increase in x and decrease in temperature. The Curie temperature increases with x and decreases with decrease in the size of the rare-earth ion. Incorporation of Ba2+ in LaCoO3 favors itinerant electron ferromagnetism relative to Sr2+ while Ca2+ is less favorable than Sr2+.  相似文献   
10.
A novel dinitro secondary metabolite, 2-nitro-4-(2-nitroethenyl)phenol from a marine source, has been prepared via highly accelerated, microwave assisted, nitration reactions using mild reagents. ipso-Substitution of a carboxy group by a nitro group is discussed.  相似文献   
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