搜索结果: 1-15 共查到“知识库 理学 theoretical study”相关记录20条 . 查询时间(0.132 秒)
Theoretical Study on Raman Spectra of Aqueous Peroxynitric Acid
Aqueous peroxynitric acid Raman Theoretical study
2012/4/5
Using density functional theory and polarizable continuum models, we study the Raman spectra of aqueous peroxynitric acid. The calculated results indicate that the solvent effect has significant influ...
A combined high-pressure experimental and theoretical study of the electronic band-structure of scheelite-type AWO4 (A = Ca, Sr, Ba, Pb) compounds
high-pressure experimental theoretical study the electronic band-structure scheelite-type AWO4
2011/8/17
Abstract: The optical-absorption edge of single crystals of CaWO4, SrWO4, BaWO4, and PbWO4 has been measured under high pressure up to ~20 GPa at room temperature. From the measurements we have obtain...
Theoretical Study on First Hyperpolarizabilities of End-Capped Triply Branched Dendrimers
Dendritic chromophore Nonlinear optical Hyperpolarizability
2012/4/5
A series of end-capped triply branched dendritic chromophores have been studied by means of density functional theory calculations. It is found that the second order nonlinear optical properties of th...
Theoretical study of Acousto-optical coherence tomography using random phase jumps on US and light
Acousto-optical random phase jumps coherence tomography
2011/9/6
Acousto-Optical Coherence Tomography (AOCT) is variant of Acousto Optic Imaging (called also ultrasonic modulation imaging) that makes possible to get z resolution with acoustic and optic Continuous W...
Theoretical Study on Impact of Single Water Molecule on OH+O3 Reaction
Ozone OH H2O Atmospheric chemistry Quantum chemical calculation
2012/4/5
Quantum chemical calculations are performed to study the reactions of OH and ozone with-out and with water to estimate whether the single water molecule can decrease the energy barrier of the OH radic...
Experimental and theoretical study of processes of formation and growth of pearlite colonies in eutectoid steels
Experimental theoretical study of processes of formation pearlite colonies
2010/11/25
We describe our optical and electron-microscopy observations of pearlite structures in eutectoid steels which seem to imply that the mechanisms of formation of pearlite colonies in these steels differ...
Theoretical Study of the Soft Optic Mode Scattering in a Relaxor Ferroelectric: the Strong Effect of the Depolarizing Fields
Theoretical Study of the Soft Optic Mode Scattering Relaxor Ferroelectric Depolarizing Fields
2010/11/19
We analyze scattering of the transverse optic modes by spherically symmetric Polarized Nano Regions (PNR) in the paraelectric phase of relaxor ferroelectrics. Calculations have done in the frame of me...
Variability of black-hole accretion discs: a theoretical study
Solar and Stellar Astrophysics (astro-ph.SR) Galaxy Astrophysics (astro-ph.GA)
2010/12/29
This thesis investigates phenomena occurring in black-hole accretion discs which are likely to induce high-frequency quasi-periodic variability. Two classes of pseudo-relativistic theoretical models a...
A theoretical study of the effects of polar substitution on the activation barriers for internal rotation around the C-N bond in p-substituted nitrosobenzenes: comparison of DFT and MP2 calculations
Para-substituted nitrosobenzenes C-N bond rotation polar substituent effect
2010/10/18
The activation barriers for internal rotation around the C-N bond in p-substituted nitrosobenzenes were calculated using the density functional theory (DFT) and second-order Møller-Plesset (MP2...
The Theoretical Study of Si Core Levels for the Change of Oxidation State
Theoretical Si Core Levels the Change of Oxidation State
2010/9/17
The investigations of Si 1s and 2p photoelectron spectra of a poly-Si plate with natural oxide layers based on high energy excitation using X-ray tubes with three kinds of target (Mg Kα, Zr Lα and Ag ...
Theoretical Study on Sulfur Dioxide Absorption with Citrate Solution
citrate solution,absorption,sulfur dioxide, theoretical analysis
2009/11/13
The citrate absorption of SO2 is currently one of the most successful and economic methods to harness sulfur dioxide pollution. In order to theoretically elucidate the mechanism of SO2 absorption by c...
THEORETICAL STUDY OF IRRADIATION EFFECTS IN CLOSE BINARIES
Radiative transfer binaries: close
2010/10/29
The effect of irradiation is studied in a close binary system as-suming that the secondary component is a point source, moving in a circular orbit.The irradiation e®ects are calculated on the atmo...
An Experimental and Theoretical Study of the Turbulent and Laminar Convection Generated under a Horizontal Ice Sheet Floating on Warm Salty Water
Turbulent Horizontal Ice Sheet Floating Laminar Convection Generated Warm Salty Water
2009/3/7
In an experimental and theoretical study we model a phenomenon which occurs in the summer polar oceans; namely, the melting of flat sheets of either glacial ice or desalinated sea ice which float over...
Subduction along a Midocean Front and the Generation of Intrathermocline Eddies: A Theoretical Study
Subduction Midocean Front Intrathermocline Eddies Theoretical Study
2008/6/9
Through an idealized model, the authors consider the dynamics of subduction along a midocean front and its linkage to the intrathermocline eddies (ITEs). The subduction is necessitated by advective–di...
Theoretical Study of Electronic Properties of the Semi-Conductors AlN and GaN With the Empirical Pseudopotential Method EPM
Empirical Pseudo-potential Method (EPM) nitride aluminium nitride gallium compounds III-N semi-conductors wide band gap semi-conductors energy gap charge density
2010/4/9
The electronic structure of binary compounds AlN and GaN are presented. We have used the empirical pseudo-potential method. Good agreement between the calculated results and experiment is obtained. Th...