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1.
Dinesh Topwal U. Manju Sugata Ray S. Raj D. D. Sarma S. R. Krishnakumar M. Bertolo S. La Rosa G. Cautero 《Journal of Chemical Sciences》2006,118(1):87-92
Disordered Sr2FeMoO6 shows a drastic reduction in saturation magnetization compared to highly ordered samples, moreover magnetization as a function
of the temperature for different disordered samples shows qualitatively different behaviours. We investigate the origin of
such diversity by performing spatially resolved photoemission spectroscopy on various disordered samples. Our results establish
that extensive electronic inhomogeneity, arising most probably from an underlying chemical inhomogeneity in disordered samples, is
responsible for the observed magnetic inhomogeneity. It is further pointed out that these inhomogeneities are connected with
composition fluctuations of the type Sr2Fe1+x
Mo1-x
O6 with Fe-rich (x > 0) and Mo-rich (x < 0) regions.
Dedicated to Prof J Gopalakrishnan on his 62nd birthday. 相似文献
2.
K.P.B. Moosad P. Krishnakumar G. Chandrashekar R.M.R. Vishnubhatla 《Applied Acoustics》2007,68(10):1280-1285
Class IV flextensional transducers (FTs) are the best-known FTs in literature. These are light-weight projectors (compared to the conventional Tonpilz designs) with capability for high power delivery at low frequencies. The resonance frequencies of this type of transducers are known to be dominantly dependent on the characteristics of the outer shell than on the driver stack. Consequently, the method of achieving fine-tuning of the transducer by modifying the characteristics of the stack, as practiced in the case of Tonpilz designs, is not very effective. This paper describes a method for fine-tuning of the frequency of a Class IV FT, which involves only a modification of a pair of small components used for coupling the stack to the transducer. The effectiveness of the method is examined by finite element modelling using the package ATILA, in the case of a 3 kHz aluminium shell transducer. Experimental results are also presented. 相似文献
3.
It is demonstrated that alpha,alpha-disubstituted-alpha-nitroketones are reduced to the corresponding trisubstituted nitro alcohols in good to excellent yield and enantiomeric excess by borane-dimethyl sulfide in the presence of a chiral oxazaborolidine catalyst. Reduction of the nitro alcohols to the corresponding amino alcohols and their subsequent conversion to enantiomerically enriched 4,4,5-trisubstituted oxazoldinones is also reported. 相似文献
4.
K. Nagesha Bhas Bapat V.R. Marathe E. Krishnakumar 《Zeitschrift für Physik D Atoms, Molecules and Clusters》1997,41(4):261-266
Theoretical and experimental investigation of the formation of S 2 - from CS2 by electron impact has been carried out. Molecular orbital calculations show that some of the low lying states of CS 2 - have lower potential energy in the bent geometries suggesting a transformation in the geometric structure of the precursor molecular ion, leading to the formation of S 2 - . In contrast to the formation of S 2 - and S 2 - , the kinetic energy associated with S 2 - is small and disproportionate to the increase in electron energy, indicating the formation of S 2 - in vibrationally excited states due to the mechanism of its formation. 相似文献
5.
6.
Paulo Limão-Vieira Gustavo García E. Krishnakumar Zoran Petrović James Sullivan Hajime Tanuma 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2016,70(10):202
The topical issue on Advances in Positron and Electron Scattering” combines contributionsfrom POSMOL 2015 together with others devoted to celebrate the unprecedented scientificcareers of our loyal colleagues and trusted friends Steve Buckman (Australian NationalUniversity, Australia) and Michael Allan (University of Fribourg, Switzerland) on theoccasion of their retirements. POSMOL 2015, the XVIII International Workshop on Low-EnergyPositron and Positronium Physics and the XIX International Symposium on Electron-MoleculeCollisions and Swarms, was held at Universidade NOVA de Lisboa, Lisboa, Portugal, from17–20 July 2015. The international workshop and symposium allowed to achieve a veryprivileged forum of sharing and developing our scientific expertise on current aspects ofpositron, positronium and antiproton interactions with electrons, atoms, molecules andsolid surfaces, and related topics, as well as electron interactions with molecules inboth gaseous and condensed phases. Particular topics include studies of electroninteractions with biomolecules, electron induced surface chemistry and the study of plasmaprocesses. Recent developments in the study of swarms are also fully addressed. 相似文献
7.
Synthesis and cytotoxicity study of pyrazoline derivatives of methoxy substituted naphthyl chalcones
K. R. Ethiraj P. Nithya V. Krishnakumar A. Jesil Mathew F. Nawaz Khan 《Research on Chemical Intermediates》2013,39(4):1833-1841
2-Acetyl naphthalene reacts with various methoxy substituted benzaldehyde in the presence of 10 % sodium hydroxide solution giving functionalized chalcones. The synthesized chalcones when further reacted with hydrazine hydrate in the presence of acetic acid afforded N-acetyl pyrazolines. All the synthesized products were confirmed by various spectral data such as FTIR, 1H NMR, 13C NMR, and HRMS studies. All the synthesized compounds were screened for cytotoxicity against various cell lines. 相似文献
8.
Krishnakumar V Ramasamy R 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2007,66(2):503-511
The molecular vibrations of 5,6-diamino uracil and 5,6-dihydro-5-methyl uracil were investigated in polycrystalline sample, at room temperature, by FT-IR and FT-Raman spectroscopies. The spectra were interpreted with the aid of normal coordinate analysis following a full structure optimization and force field calculations based on the density functional theory (DFT) using standard B3LYP/6-31G* and B3LYP/6-311+G** methods and basis set combinations. The DFT force field transformed to natural internal coordinates was corrected by a well-established set of scale factors that were found to be transferable to the title compounds. The infrared and Raman spectra were also predicted from the calculated intensities. Comparison of the simulated spectra with the experimental spectra provides important information about the ability of the computational method to describe the vibrational modes. 相似文献
9.
Krishnakumar V Balachandran V 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2005,61(8):1811-1819
The FTIR and FT-Raman spectra of 2,6-dibromo-4-nitroaniline (2,6-DB4NA) in solid phase and 2-(methylthio)aniline (2-MTA) in liquid phase were measured. The geometry and normal vibrations have been obtained from the density functional theory (DFT) with the B3LYP method employing the 6-31G* basis set. Scale factors, which bring computational frequencies in closer agreement with the experimental data, have been calculated for predominant vibrational motions of the normal modes. The effects of the amino, bromine, nitro, thio and methyl substituents on vibrational frequencies have been investigated. The infrared and Raman spectra were also predicted from the calculated intensities. The observed and the calculated spectra were found to be in good agreement. 相似文献
10.
Krishnakumar V Xavier RJ Chithambarathanu T 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2005,62(4-5):931-939
This work deals with the vibrational spectroscopy of succinimide and N-bromosuccinimide. The mid and far FTIR and FT-Raman spectra were measured in the condensed state. The fundamental vibrational frequencies and intensity of vibrational bands were evaluated using density functional theory (DFT) using standard B3LYP/6-31G(*) and B3LYP/6-311+G(**) methods and basis set combinations. The vibrational spectra were interpreted, with the aid of normal coordinate analysis based on a scaled quantum mechanical force field. The infrared and Raman spectra were also predicted from the calculated intensities. Comparison of simulated spectra with the experimental spectra provides important information about the ability of the computational method to describe the vibrational modes. Unambiguous vibrational assignment of all the fundamentals were made using the total energy distribution (TED). 相似文献