Publications associées à Gaz

Time-dependent density functional theory molecular dynamics simulation of doubly charged uracil in gas phase

Ursula Röthlisberger, Ivano Tavernelli, Pablo Lopez Tarifa

We use time-dependent density functional theory and Born-Oppenheimer molecular dynamics methods to investigate the fragmentation of doubly ionized uracil in gas phase. Different initial electronic excited states of the dication are obtained by removing ele ...

2014

Atmospheric amines and ammonia measured with a chemical ionization mass spectrometer (CIMS)

Athanasios Nenes, Satoshi Takahama, Giulia Ruggeri, Hairun Guo

We report measurements of ambient amines and ammonia with a fast response chemical ionization mass spectrometer (CIMS) in a southeastern US forest and a moderately polluted midwestern site during the summer. At the forest site, mostly C3-amines (from pptv ...

Copernicus Gesellschaft Mbh2014

Atmospheric amines and ammonia measured with a chemical ionization mass spectrometer (CIMS)

Athanasios Nenes, Satoshi Takahama, Giulia Ruggeri, Hairun Guo

Copernicus GmbH2014

The SUBGLACIOR drilling probe: Concept and design

Jérôme Chappellaz

Analyses of air extracted from polar ice cores are the most straightforward method of reconstructing the atmospheric concentrations of greenhouse gases and their variations for past climatic epochs. These measurements show that the concentration of the thr ...

Cambridge University Press (CUP)2014

Fabrication and characterization of monolithically integrated microchannel plates based on amorphous silicon

Christophe Ballif, Jonas Geissbühler, Andrea Franco

Microchannel plates are vacuum-based electron multipliers for particle—in particular, photon— detection, with applications ranging from image intensifiers to single-photon detectors. Their key strengths are large signal amplification, large active area, mi ...

2014

Assessment of amide I spectroscopic maps for a gas-phase peptide using IR-UV double-resonance spectroscopy and density functional theory calculations

Thomas Rizzo, Sylvain Roy, Aleksandra Zabuga

The spectroscopy of amide I vibrations has become a powerful tool for exploring protein structure and dynamics. To help with spectral interpretation, it is often useful to perform molecular dynamics (MD) simulations. To connect spectroscopic experiments to ...

American Institute of Physics2014

Incremental Model Identification of Gas-Liquid Reaction Systems with Unsteady-State Diffusion

Dominique Bonvin, Julien Léo Billeter, Sriniketh Srinivasan, Benoit Till Cretegny

Identification of kinetic models and estimation of reaction and mass-transfer parameters can be performed using the extent-based identification method, whereby each chemical/physical process is handled separately [1-3]. This method is used here to analyze ...

2013

Radiation-Ablation Coupling for Capsule Reentry Heating via Simulation and Expansion Tube Investigations

Pénélope Leyland, Umar Sheikh, Daniel Potter, Ojas Joshi, Nikhil Banerji, Jérémy Raphaël Mora-Monteros, Valentin Marguet, Elise Joy Fahy

A capsule entering a planetary atmosphere at hypersonic speeds experiences high levels of radiative heating. Furthermore, coupling between the ablation products from the surface of the vehicle and the high temperature gas can have a major effect on the hea ...

2013

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Gaz

Time-dependent density functional theory molecular dynamics simulation of doubly charged uracil in gas phase

Atmospheric amines and ammonia measured with a chemical ionization mass spectrometer (CIMS)

Atmospheric amines and ammonia measured with a chemical ionization mass spectrometer (CIMS)

The SUBGLACIOR drilling probe: Concept and design

Fabrication and characterization of monolithically integrated microchannel plates based on amorphous silicon

Assessment of amide I spectroscopic maps for a gas-phase peptide using IR-UV double-resonance spectroscopy and density functional theory calculations

Reversible CO Binding Enables Tunable CO/H2 and CO/N2 Separations in Metal-Organic Frameworks with Exposed Divalent Metal Cations

Incremental Model Identification of Gas-Liquid Reaction Systems with Unsteady-State Diffusion

Incremental Model Identification of Gas-Liquid Reaction Systems with Unsteady-State Diffusion

Radiation-Ablation Coupling for Capsule Reentry Heating via Simulation and Expansion Tube Investigations

Graph Chatbot

Chattez avec Graph Search

Time-dependent density functional theory molecular dynamics simulation of doubly charged uracil in gas phase

Atmospheric amines and ammonia measured with a chemical ionization mass spectrometer (CIMS)

Atmospheric amines and ammonia measured with a chemical ionization mass spectrometer (CIMS)

The SUBGLACIOR drilling probe: Concept and design

Fabrication and characterization of monolithically integrated microchannel plates based on amorphous silicon

Assessment of amide I spectroscopic maps for a gas-phase peptide using IR-UV double-resonance spectroscopy and density functional theory calculations

Reversible CO Binding Enables Tunable CO/H2 and CO/N2 Separations in Metal-Organic Frameworks with Exposed Divalent Metal Cations

Incremental Model Identification of Gas-Liquid Reaction Systems with Unsteady-State Diffusion

Incremental Model Identification of Gas-Liquid Reaction Systems with Unsteady-State Diffusion

Radiation-Ablation Coupling for Capsule Reentry Heating via Simulation and Expansion Tube Investigations