Publications de Daniel Filipe Dos Santos Alves Jana

Nonlinear dynamic analysis of D-alpha signals for type I edge localized modes characterization on JET with a carbon wall

Olivier Sauter, Ambrogio Fasoli, Basil Duval, Stefano Coda, Martinus Gijs, Jonathan Graves, Yves Martin, Duccio Testa, Patrick Blanchard, Joan Decker

In this paper, the dynamic characteristics of type-I ELM time-series from the JET tokamak, the world's largest magnetic confinement plasma physics experiment, have been investigated. The dynamic analysis has been focused on the detection of nonlinear struc ...

2018

Assessment of Intra- and Intermolecular Effects by Computational NMR

Daniel Filipe Dos Santos Alves Jana

This thesis addresses advances in the field of computational Nuclear Magnetic Resonance (NMR) with two specific objectives: 1) developing an approach enabling the direct probing of intramolecular electronic effects on molecular properties; 2) assessing and ...

EPFL2012

Structure-Correlation Principles Connecting Ground State Properties and Reaction Barrier Heights for the Cope Rearrangement of Semibullvalenes

Matthew Wodrich, Daniel Filipe Dos Santos Alves Jana, Anne-Clémence Corminboeuf

A direct relationship exists between the properties of substituted semibullvalenes and their Cope rearrangement activation barrier. This unique correlation not only enables the determination of kinetic data from ground state information, but also provides ...

American Chemical Society2012

Can an eight pi-electron bare ring be planar?

Daniel Filipe Dos Santos Alves Jana, Anne-Clémence Corminboeuf

Royal Society of Chemistry2011

Formation and study of single metal ion–phospholipid complexes in biphasic electrospray ionization mass spectrometry

Hubert Girault, Daniel Filipe Dos Santos Alves Jana, Anne-Clémence Corminboeuf, Manuel Alejandro Méndez Agudelo, Michel Prudent

Single metal ion-phospholipid complexes are observed in biphasic electrospray ionization mass spectrometry (BESI-MS) using a dual-channel microsprayer. Such a microsprayer makes it possible to put into contact two immiscible liquids within the Taylor cone. ...

Royal Society of Chemistry2010

Direct Assessment of Electron Delocalization on NMR Chemical Shifts

Daniel Filipe Dos Santos Alves Jana, Anne-Clémence Corminboeuf

Wiley-VCH Verlag GmbH2009

Empirical Corrections to Density Functional Theory Highlight the Importance of Nonbonded Intramolecular Interactions in Alkanes

Matthew Wodrich, Daniel Filipe Dos Santos Alves Jana, Anne-Clémence Corminboeuf

Energies of alkanes computed with many popular and even newer density functionals are flawed by systematic errors, which become considerable with larger molecules. The same energies, however, are well described by post-Hartree-Fock methods. Similar DFT sho ...

2008