Search results for "Names"
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Theoretical characterization of the electronic properties of unsymmetrical phthalocyanine analogues
1993
Abstract The electronic structure of unsymmetrical phthalocyanine-based compounds is investigated using the nonempirical valence effective Hamiltonian (VEH) method. The VEH results predict a slight but continuous destabilization of the HOMO level and a monotonous narrowing of the HOMO-LUMO energy gap as the size of the system increases. The theoretical trends are found to agree with optical absorption experimental data and show that the optical properties of phthalocyanine can be monitored by adjusting the size of the π-conjugated macrocycle.
Nonstationary response envelope probability densities of nonlinear oscillators
2006
The nonstationary random response of a class of lightly damped nonlinear oscillators subjected to Gaussian white noise is considered. An approximate analytical method for determining the response envelope statistics is presented. Within the framework of stochastic averaging, the procedure relies on the Markovian modeling of the response envelope process through the definition of an equivalent linear system with response-dependent parameters. An approximate solution of the associated Fokker-Planck equation is derived by resorting to a Galerkin scheme. Specifically, the nonstationary probability density function of the response envelope is expressed as the sum of a time-dependent Rayleigh dis…
Phase coexistence in finite van der Waals systems
1999
Phase coexistence in finite systems obeying van der Waals equation of state is studied by minimizing a model free energy function for a spherical liquid droplet and a gaseous phase around it. Phase diagrams are calculated for finite systems with a large range of sizes. According to this model, the highest temperature where a droplet and vapour can exist in equilibrium decreases as N −0.4, where N is the number of particles in the system. The model predicts higher equilibrium vapour pressures than molecular dynamics simulations.
(Vapour + liquid) equilibria of (water + dimethylformamide): application of the headspace-gas chromatography for the determination of thermodynamic i…
1998
Abstract Isothermal measurements of the partial vapour pressures have been carried out on {water + dimethylformamide (DMF)} at temperatures betweenT=305.15 K andT=323.15 K using an apparatus composed of a headspace sampler and a normal gas chromatograph. These data were simultaneously evaluated in one step with respect to the (composition dependent, integral) Flory-Huggins interaction parametergby means of a new method which minimizes the Gibbs energy of mixing and does not require chemical potentials. The expression forggiven by Koningsveld and Kleintjens, originally designed for polymer solutions, describes the present results best.
Octupolar excitation of ion motion in a Penning trap: A theoretical study
2014
Abstract High-precision Penning-trap mass spectrometry uses the resonant conversion of the magnetron motional mode into the cyclotron motional mode to determine the cyclotron frequency of the ions under investigation. Usually the conversion process is performed by interaction of the ions with external quadrupolar rf-fields. Recently it was found that conversion by means of octupolar rf-fields entails a tremendous increase in mass resolution and is thus of great interest. However, the conversion results depend in an intricate way on the amplitudes and phases of the octupolar rf-field and of the motional modes of the ions. Experimental progress was hampered by the lack of an underlying theory…
Velocity estimation in wideband mobile stations equipped with multiple antennas
2009
©2009 IEEE. Personal use of this material is permitted. However, permission to reprint/republish this material for advertising or promotional purposes or for creating new collective works for resale or redistribution to servers or lists, or to reuse any copyrighted component of this work in other works must be obtained from the IEEE. Article also available from publisher: http://dx.doi.org/10.1109/VETECS.2009.5073907 A new method is proposed for estimating the velocity of wideband mobile stations (MSs) equipped with multiple antennas. The MS speed is determined using the well-known relationship between the direction-of-arrivals (DOAs) and the Doppler frequency shifts experienced by the mult…
Decremental 2- and 3-connectivity on planar graphs
1996
We study the problem of maintaining the 2-edge-, 2-vertex-, and 3-edge-connected components of a dynamic planar graph subject to edge deletions. The 2-edge-connected components can be maintained in a total ofO(n logn) time under any sequence of at mostO(n) deletions. This givesO(logn) amortized time per deletion. The 2-vertex- and 3-edge-connected components can be maintained in a total ofO(n log2n) time. This givesO(log2n) amortized time per deletion. The space required by all our data structures isO(n). All our time bounds improve previous bounds.
Tropical traditional fermented food, a field full of promise. Examples from the Tropical Bioresources and Biotechnology programme and other related F…
2013
International audience; In tropical countries, traditional fermented foods are usually home‐made products obtained through spontaneous fermentation or backslopping. They are now facing an evolution aiming at responding to quality, safety and mass production issues. This requires acquisition of knowledge on raw materials, microbial ecosystems and fermentation processes. Vietnam is a laboratory for such studies as traditional fermented foods play an important role in the diet of Vietnamese and as these foods are very diverse. Among the most popular are nem chua (sausage reminding Thai Nham), dua muoi (cabbage reminding Kimchi), tom chua (shrimps) and the well‐known nuoc mam. The challenge for…
Density Functional Theory Modelled Absorption and Raman Spectra Applicable to Ergocalciferol (Vitamin D2) and Cholecalciferol (D3)
2021
The study establishes optically relevant lines by modelling ergocalciferol (D2) and cholecalciferol (D3) and compare these to measured and earlier reported absorption and Raman spectra lines. This is a step to reach a further goal of finding if minute Vitamin D (D2 and D3) concentration changes could be determined so that a non-invasive sensor could be developed with a reference to non-invasive measurements reported in [1] describing a Raman spectroscopy method of blood glucose concentration of threshold of 5 mmol/l. However, our concentrations are lower by two orders, i.e., 50 nmol/l. At such concentrations random-type metabolites may have an important role, like those related with person’…
Density Functional Theory Calculated Raman Spectra of Ergocalciferol (Vitamin D2) and Cholecalciferol (D3)
2021
Density functional theory (DFT)-calculated Infrared and Raman spectra of Vitamin D2 and D3 are presented. The calculated results are compared with each other and with available experimental data. Applicability of Raman spectra for non-invasive optical Vitamin D sensors is discussed.