Publications related to Theoretical and experimental study of the IR spectrum of the BrHI and BrDI anions

Franck–Condon-like Progressions in Infrared Spectra of Biological Molecules

Thomas Rizzo, Michael Zachary Kamrath, Aleksandra Zabuga

Infrared spectra in the NH stretch region are often used for structure determination of gas-phase biological molecules. Vibrational couplings complicate the structure determination process by giving rise to additional vibrational bands along with the expec ...

American Chemical Society2015

Infrared spectra of jennite and tobermorite from first-principles

Alfredo Pasquarello, Gabriele Sclauzero, Alexandre Vidmer

The infrared absorption spectra of jennite, tobermorite 14 angstrom, anomalous tobermorite 11 angstrom, and normal tobermorite 11 angstrom are simulated within a density-functional-theory scheme. The atomic coordinates and the cell parameters are optimized ...

Elsevier2014

Cardinal Hermite Exponential Splines: Theoretical Insights and Applications to Active Contours

Michaël Unser, Virginie Sophie Uhlmann

Cardinal Hermite exponential spline functions are a generalization of the classical cardinal Hermite polynomial splines. In this work we consider the 4-dimensional space

ε _{ 4 }

= {1, x,

e ^{ \alpha x }

,

e ^{ -\alpha x }

} with α ∈ $ ℝ ^{ + } ...

SMAI-SIGMA2014

Quantum state-resolved gas/surface reaction dynamics probed by reflection absorption infrared spectroscopy

Rainer Beck, Li Chen, Régis Bisson, Hirokazu Ueta

We report the design and characterization of a new molecular-beam/surface-science apparatus for quantum state-resolved studies of gas/surface reaction dynamics combining optical state-specific reactant preparation in a molecular beam by rapid adiabatic pas ...

American Institute of Physics2013

Quantification of Carboxylic and Carbonyl Functional Groups in Organic Aerosol Infrared Absorbance Spectra

Satoshi Takahama

Atmospheric aerosols are one of the least understood components of the climate system and incur adverse health effects on susceptible populations. Organic aerosols can make up as much as 80% of atmospheric aerosols (Lim and Turpin

Taylor & Francis2013

Nb-Doped Colloidal TiO2 Nanocrystals with Tunable Infrared Absorption

Raffaella Buonsanti, Anna Llordes Gil

We report a new colloidal synthesis of niobium-doped TiO2 anatase nanocrystals (NCs) that allows for the prepn. of ∼10 nm NCs with control over the amt. of Nb doping up to ∼14%. The incorporation of niobium ions leads to the appearance of a tunable, broad ...

2013

Theoretical and experimental study of a 30nm metallic slot array

Hans Peter Herzig, Qing Tan, Armando Cosentino

We present the simulation, fabrication, and characterization of a metallic slot grating on a silicon waveguide (30nm slot width for a period of 500nm). According to the simulation, the experimental measured spectrum of the structure exhibits a dip in the n ...

2011

Photophysics and Photochemistry from First Principles

Matteo Guglielmi

Quantum chemical methods are important tools for the predictions of electronic structure and energetics of molecules providing the interpretation of spectroscopic experiments and reaction mechanisms. In this thesis, density functional theory (DFT) and wave ...

EPFL2010

Tunable and Broadband Nanostructured Photonic Devices

Pierre-Yves Baroni

The main topic of this thesis is the fabrication and characterization of structures smaller than the wavelength of light, for operation in the visible or near infrared spectral range. In the first part of this thesis, the fabrication of periodic structures ...

EPFL2010

Micromirrors for integrated tunable mid-infrared detectors and emitters

Niels Quack

The mid-infrared range is of interest in spectroscopic applications, due to the large number of organic compounds that exhibit characteristic absorption bands in this spectral region. Semiconductor technology, however, has been developed mainly for the nea ...

ETH2009

Theoretical and experimental study of the IR spectrum of the BrHI and BrDI anions

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Franck–Condon-like Progressions in Infrared Spectra of Biological Molecules

Infrared spectra of jennite and tobermorite from first-principles

Cardinal Hermite Exponential Splines: Theoretical Insights and Applications to Active Contours

Quantum state-resolved gas/surface reaction dynamics probed by reflection absorption infrared spectroscopy

Quantification of Carboxylic and Carbonyl Functional Groups in Organic Aerosol Infrared Absorbance Spectra

Nb-Doped Colloidal TiO2 Nanocrystals with Tunable Infrared Absorption

Theoretical and experimental study of a 30nm metallic slot array

Photophysics and Photochemistry from First Principles

Tunable and Broadband Nanostructured Photonic Devices

Micromirrors for integrated tunable mid-infrared detectors and emitters

Franck–Condon-like Progressions in Infrared Spectra of Biological Molecules

Cardinal Hermite Exponential Splines: Theoretical Insights and Applications to Active Contours

Photophysics and Photochemistry from First Principles

Quantum state-resolved gas/surface reaction dynamics probed by reflection absorption infrared spectroscopy

Infrared spectra of jennite and tobermorite from first-principles

Quantification of Carboxylic and Carbonyl Functional Groups in Organic Aerosol Infrared Absorbance Spectra

Theoretical and experimental study of a 30nm metallic slot array

Tunable and Broadband Nanostructured Photonic Devices

Nb-Doped Colloidal TiO2 Nanocrystals with Tunable Infrared Absorption

Micromirrors for integrated tunable mid-infrared detectors and emitters