Concept

Potential energy

Related publications (520)

On-the-fly ab initio semiclassical dynamics of floppy molecules: Absorption and photoelectron spectra of ammonia

Jiri Vanicek, Marius Wehrle, Solène Oberli

We investigate the performance of on-the-fly ab initio (OTF-AI) semiclassical dynamics combined with the thawed Gaussian approximation (TGA) for computing vibrationally resolved absorption and photoelectron spectra. Ammonia is used as a prototype of floppy ...

American Chemical Society2015

Keyword Extraction and Clustering for Document Recommendation in Conversations

Andrei Popescu-Belis, Maryam Habibi

This paper addresses the problem of keyword extraction from conversations, with the goal of using these keywords to retrieve, for each short conversation fragment, a small number of potentially relevant documents, which can be recommended to participants. ...

2015

Generating photocurrent by nanocomposites based on photosynthetic reaction centre protein

László Forró, Endre Horvath, Klara Hernadi, Emil Nyerki

An optoelectronic device, which converts light energy to electric potential, was designed and fabricated by using photosynthetic reaction centre (RC) proteins of purple bacterium Rhodobacter sphaeroides R-26, based on the structure and function of the dye ...

Wiley-V C H Verlag Gmbh2015

Description of the capacity degradation mechanism in LaNi5-based alloy electrodes

Philippe Mauron, Mariana Spodaryk, Marco Roman Holzer

The mechanism of the capacity degradation of LaNi5-based alloy electrodes was investigated with a special focus on the influence of the alloy and surface composition, as well as the unique structure obtained by gas atomisation. The electrochemical properti ...

Elsevier Science Sa2015

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

Inverse identification of infarcted areas inside the cardiac muscle through an optimal control formulation for cardiac electrophysiology equations

Seif Ben Bader

The project deals with the finite element approximation of the monodomain equation, which models the propagation of the electrical potential in the cardiac muscle through a coupled system of PDE’s. The goal is to recover the shape of an infarcted area insi ...

2015

Developing a 3D finite element model for reinforced concrete

Lucas Henri Galilée Frérot

The embedded model is used in finite elements to account for the influence of the reinforcement in concrete. This report describes the embedded model, its concept and equations. Details are also given as to the constitutive relations of concrete and steel. ...

2015

CAMEA ESS - The continuous angle multi-energy analysis indirect geometry spectrometer for the European Spallation Source

Henrik Moodysson Rønnow, Paul Gregory Freeman

The CAMEA ESS neutron spectrometer is designed to achieve a high detection efficiency in the horizontal scattering plane, and to maximize the use of the long pulse European Spallation Source. It is an indirect geometry time-of-flight spectrometer that uses ...

E D P Sciences2015

Reaching the ultimate performance limit given by non-local effects in BOTDA sensors

Luc Thévenaz, Marcelo Alfonso Soto Hernandez, Zhisheng Yang, Alejandro Dominguez Lopez

Non-local effects have been traditionally identified as one of the most limiting factors of the performance of Brillouin optical time-domain analyzers. These phenomena, directly linked with the energy gained/lost by the pump pulse, limit the probe power an ...

SPIE2015

Diaphragm In Pressure Pipe: Steady State Head Loss Evolution And Transient Phenomena

Giovanni De Cesare, Nicolas Jean François Pascal Ghislain Adam

With liberalization of European market, many high head power plants in Switzerland increase their potential generation to remain competitive. The existing surge tanks have to be modified to keep the flow management constant. A relevant way to limit the tim ...

2015

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