Laser induced electron diffraction: a tool for molecular orbital imaging

We explore the laser-induced ionization dynamics of N2 and CO2 molecules subjected to a few-cycle, linearly polarized, 800\,nm laser pulse using effective two-dimensional single active electron time-dependent quantum simulations. We show that the electron recollision process taking place after an initial tunnel ionization stage results in quantum interference patterns in the energy resolved photo-electron signals. If the molecule is initially aligned perpendicular to the field polarization, the position and relative heights of the associated fringes can be related to the molecular geometrical and orbital structure, using a simple inversion algorithm which takes into account the symmetry of the initial molecular orbital from which the ionized electron is produced. We show that it is possible to extract inter-atomic distances in the molecule from an averaged photon-electron signal with an accuracy of a few percents

Signal Penetration towards Wooden Building Construction Materials

This paper emphasize on the effect of mobile signal penetration towards wooden building construction materials in Malaysia. The results of signal strength measurement at frequency 900MHz in the anechoic chamber with different types of wooden building construction materials and thickness is presented. The objectives of these experiments are to identify the types of wooden building materials in Malaysia that have significant impact into signal penetration and determine the effect of the identified wooden materials thickness towards signal penetration into building materials. This paper also report on the anechoic chamber and experiment setup that is used in the experimen

Electromagnetic radiation towards adult human head from 900MHz handheld mobile phone

Electromagnetic radiation produce by mobile phone and the relationship with the human's health is not a new issue nowadays. Since the used of mobile phone had increased rapidly over the past few years, people are becoming more concern with their health when dealing with the so-called electromagnetic radiation. This type of radiation would leads to heating of body tissue at specific rate called the thermal radiation. Thermal radiation depends on the frequency of the energy, the power density of the radio frequency field that strikes the body and the polarization of wave. This paper will discuss on the result collected from the thermal radiation generated by handheld mobile phone with frequency of 900 MHz towards adult human head. The analysis is conducted in a laboratory with average of 45 minutes talking hour with two different types of mobile phone, internal and external antenna. The results show an increased of heat especially at the place near the ear skull after 45 minutes of operation. When comparing both different types of mobile phone, mobile phone with external antenna produce more heat compared to mobile phone with internal antenna

First-principles modelling of molecular single-electron transistors

We present a first-principles method for calculating the charging energy of a molecular single-electron transistor operating in the Coulomb blockade regime. The properties of the molecule are modeled using density-functional theory, the environment is described by a continuum model, and the interaction between the molecule and the environment are included through the Poisson equation. The model is used to calculate the charge stability diagrams of a benzene and C$_{60}$ molecular single-electron transistor

Full Reference Image Quality Metrics and their Performance

This paper mainly aims to study the performance of objective assessment methods of image quality. It take into consideration the correlations between each objective assessment and the subjective assessment in order to determine objective test performance. Three objective assessment methods used in this study are the Structural Similarity (SSIM) index, the Peak Signal-to-Noise Ratio (PSNR) and the Mean Squared Error (MSE) calculating algorithm. The resulting data indicate what type of objective assessment was most suitable for which type of impairment imposed upon an image. This is clarified using the Pearson Correlation Coefficient as described in the paper. As an overall, SSIM index had the best correlation characteristics to the subjective assessment, followed by the MSE calculating algorithm. From this study, a better understanding of the requirements for developing an efficient image quality assessment method was gained

Charge Transfer from Regularized Symmetry-Adapted Perturbation Theory

16 pages, 16 figure

Fault Detection using Dynamic Parity Space Approach

This paper review the effectiveness of the parity space approach to identify faults or disturbance in a system. The most commonly used is the observer based procedures, and redundancy relationship method. This involves analytical mathematical analysis of geometry and bilinear algebra. Then, technological advances which require complex computation such as artificial intelligence and genetic algorithm had made tremendous improvement to fault Detection and Isolation (FDI) analysis. Dynamic Parity Space Approach was studied for a discrete state-space model. Important data will be extracted using this approach especially for residual generation which is the backbones of FDI analysis. Subsequently, at each time instant k, the generated residuals will form a matrix that will define the fault signature. It is remarkable that this approach is proven in this study to be effective in diagnosis and faults isolation

A selected ion flow tube study of the ion-molecule reactions of monochloroethene, trichloroethene and tetrachloroethene

Data for the rate coefficients and product cations of the reactions of a large number of atomic and small molecular cations with monochloroethene, trichloroethene and tetrachloroethene in a selected ion flow tube at 298 K are reported. The recombination energy of the ions range from 6.27 eV (H$_3$O$^+$) through to 21.56 eV (Ne$^+$). Collisional rate coefficients are calculated by modified average dipole orientation theory and compared with experimental values. Thermochemistry and mass balance predict the most feasible neutral products. Together with previously reported results for the three isomers of dichloroethene (J. Phys. Chem. A., 2006, 110, 5760), the fragment ion branching ratios have been compared with those from threshold photoelectron photoion coincidence spectroscopy over the photon energy range 9-22 eV to determine the importance or otherwise of long-range charge transfer. For ions with recombination energy in excess of the ionisation energy of the chloroethene, charge transfer is energetically allowed. The similarity of the branching ratios from the two experiments suggest that long-range charge transfer is dominant. For ions with recombination energy less than the ionisation energy, charge transfer is not allowed; chemical reaction can only occur following formation of an ion-molecule complex, where steric effects are more significant. The products that are now formed and their percentage yield is a complex interplay between the number and position of the chlorine atoms with respect to the C=C bond, where inductive and conjugation effects can be important

A Halomethane thermochemical network from iPEPICO experiments and quantum chemical calculations

Internal energy selected halomethane cations CH3Cl+, CH2Cl2+, CHCl3+, CH3F+, CH2F2+, CHClF2+ and CBrClF2+ were prepared by vacuum ultraviolet photoionization, and their lowest energy dissociation channel studied using imaging photoelectron photoion coincidence spectroscopy (iPEPICO). This channel involves hydrogen atom loss for CH3F+, CH2F2+ and CH3Cl+, chlorine atom loss for CH2Cl2+, CHCl3+ and CHClF2+, and bromine atom loss for CBrClF2+. Accurate 0 K appearance energies, in conjunction with ab initio isodesmic and halogen exchange reaction energies, establish a thermochemical network, which is optimized to update and confirm the enthalpies of formation of the sample molecules and their dissociative photoionization products. The ground electronic states of CHCl3+, CHClF2+ and CBrClF2+ do not confirm to the deep well assumption, and the experimental breakdown curve deviates from the deep well model at low energies. Breakdown curve analysis of such shallow well systems supplies a satisfactorily succinct route to the adiabatic ionization energy of the parent molecule, particularly if the threshold photoelectron spectrum is not resolved and a purely computational route is unfeasible. The ionization energies have been found to be 11.47 ± 0.01 eV, 12.30 ± 0.02 eV and 11.23 ± 0.03 eV for CHCl3, CHClF2 and CBrClF2, respectively. The updated 0 K enthalpies of formation, ∆fHo0K(g) for the ions CH2F+, CHF2+, CHCl2+, CCl3+, CCl2F+ and CClF2+ have been derived to be 844.4 ± 2.1, 601.6 ± 2.7, 890.3 ± 2.2, 849.8 ± 3.2, 701.2 ± 3.3 and 552.2 ± 3.4 kJ mol–1, respectively. The ∆fHo0K(g) values for the neutrals CCl4, CBrClF2, CClF3, CCl2F2 and CCl3F and have been determined to be –94.0 ± 3.2, –446.6 ± 2.7, –702.1 ± 3.5, –487.8 ± 3.4 and –285.2 ± 3.2 kJ mol–1, respectively