Search results for "Transmission coefficient"
showing 10 items of 20 documents
A Simple Apparatus for the Determination of the Optical Constants and the Thickness of Absorbing Thin Films
2001
We report on a simple and inexpensive apparatus useful for measuring the optical constants n, k and the thickness of weakly absorbing thin films. The measurement is based on an accurate determination of the reflectance and transmittance of a specimen illuminated by a laser beam. The laser beam is incident on a transparent substrate coated with the film to be evaluated, with an angle of incidence equal to the Brewster angle for the substrate, and its polarization can be switched between the p and s states. If the thickness is known to be within a presumptive range, measurements of the p and s reflectance and transmittance allow a calculation of the optical constants n, k and the thickness of…
Linking Electrostatic Effects and Protein Motions in Enzymatic Catalysis. A Theoretical Analysis of Catechol O-Methyltransferase
2014
The role of protein motions in enzymatic catalysis is the subject of a hot scientific debate. We here propose the use of an explicit solvent coordinate to analyze the impact of environmental motions during the reaction process. The example analyzed here is the reaction catalyzed by catechol O-methyltransferase, a methyl transfer reaction from S-adenosylmethionine (SAM) to the nucleophilic oxygen atom of catecholate. This reaction proceeds from a charged reactant to a neutral product, and then a large electrostatic coupling with the environment could be expected. By means of a two-dimensional free energy surface, we show that a large fraction of the environmental motions needed to attain the…
Quasi-Normal Frequencies in Open Cavities: An Application to Photonic Crystals
2005
The electromagnetic field in an optical open cavity is analyzed in the framework of the Quasi-Normal Modes theory. The role of the complex quasi-normal frequencies in the transmission coefficient and their link with the density of quasi-modes function is clarified. An application to a quarter-wave symmetric one-dimensional photonic crystals is discussed to illustrate the usefulness and the meaning of our results.
Resonant Tunneling in 2D-Waveguides with Several Resonators
2021
In this chapter, we consider a two-dimensional waveguide that coincides with a strip having \(n+1\) narrows of small diameter \(\varepsilon \). All narrows are of the same shape and are spaced from each other by equal distances. Parts of the waveguide between two neighboring narrows play the role of resonators. The wave function of a free electron satisfies the Dirichlet boundary value problem for the Helmholtz equation in the waveguide. Near a simple eigenvalue of the closed resonator there are n resonant peaks of height close to 1. We let \(\varepsilon \rightarrow 0\) and obtain asymptotic formulas for the resonant energies and for the widths of the resonant peaks at their half-height. Th…
Design, near-field characterization, and modeling of 45 circle surface-plasmon Bragg mirrors
2006
The development of surface plasmon polariton (SPP) optical elements is mandatory in order to achieve surface plasmon based photonics. A current approach to reach this goal is to take advantage of the interaction of SPP with defects and design elements obtained by the micro- or nano-structuration of the metal film. In this work, we have performed a detailed study of the performance and behavior of SPP-Bragg mirrors, designed for 45\ifmmode^\circ\else\textdegree\fi{} incidence, based on this approach. Mirrors consisting of gratings of both metal ridges on the metal surface and grooves engraved in the metal, fabricated by means of electron beam lithography and focused ion beam, have been consi…
Nano-holes vs nano-cracks in thin gold films: What causes anomalous THz transmission?
2015
Nano-structuring materials can change their properties extraordinarily, but so can defects caused by manufacturing. We study the effect of capacitive defects on terahertz transmission in golden nanomeshes, and find their influence crucial.
Near-Field Distribution of Optical Transmission of Periodic Subwavelength Holes in a Metal Film
2000
Recent experimental discovery of the enhanced optical transmission through metal films with periodic subwavelength holes has given rise to a considerable interest in the optical properties of such structures due to their possible numerous applications in optics and optoelectronics as well as rich physics behind the phenomenon of the transmission enhancement [1–4]. The transmission of a subwavelength aperture is very low and proportional to the fourth power of the ratio of its diameter and light wavelength. However, if a metal film is perforated with a periodic array of such holes, the optical transmission can be significantly enhanced [1]. Being normalized to the total area of the illuminat…
Protein isotope effects in dihydrofolate reductase from Geobacillus stearothermophilus show entropic-enthalpic compensatory effects on the rate const…
2014
Catalysis by dihydrofolate reductase from the moderately thermophilic bacterium Geobacillus stearothermophilus (BsDHFR) was investigated by isotope substitution of the enzyme. The enzyme kinetic isotope effect for hydride transfer was close to unity at physiological temperatures but increased with decreasing temperatures to a value of 1.65 at 5 °C. This behavior is opposite to that observed for DHFR from Escherichia coli (EcDHFR), where the enzyme kinetic isotope effect increased slightly with increasing temperature. These experimental results were reproduced in the framework of variational transition-state theory that includes a dynamical recrossing coefficient that varies with the mass of…
Transition state ensemble optimization for reactions of arbitrary complexity.
2015
In the present work, we use Variational Transition State Theory (VTST) to develop a practical method for transition state ensemble optimization by looking for an optimal hyperplanar dividing surface in a space of meaningful trial collective variables. These might be interatomic distances, angles, electrostatic potentials, etc. Restrained molecular dynamics simulations are used to obtain on-the-fly estimates of ensemble averages that guide the variations of the hyperplane maximizing the transmission coefficient. A central result of our work is an expression that quantitatively estimates the importance of the coordinates used for the localization of the transition state ensemble. Starting fro…
Molecular dynamics simulations of elementary chemical processes in liquid water using combined density functional and molecular mechanics potentials.…
1997
A new approach to carry out molecular dynamics simulations of chemical reactions in solution using combined density functional theory/molecular mechanics potentials is presented. We focus our attention on the analysis of reactive trajectories, dynamic solvent effects and transmission coefficient rather than on the evaluation of free energy which is another important topic that will be examined elsewhere. In a previous paper we have described the generalities of this hybrid molecular dynamics method and it has been employed to investigate low energy barrier proton transfer process in water. The study of processes with activation energies larger than a few kT requires the use of specific tech…