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Concept

Resonance (chemistry)

Related publications (28)

Kondo lattice excitation observed using resonant inelastic x-ray scattering at the YbM5 edge

Marco Grioni, Thorsten Schmitt, Marco Guarise

We present a study of the resonant inelastic scattering response of YbInCu4 excited at the tender YbM5 x-ray edge. In the high-temperature, paramagnetic phase, we observe a multiplet structure which can be understood at an ionic level. Upon cooling through ...

AMER PHYSICAL SOC2018

Lateral Intermolecular Electronic Interactions of Diketopyrrolopyrrole D−π–A Solar Dye Sensitizers Adsorbed on Mesoporous Alumina

Jacques-Edouard Moser, Ulf Anders Hagfeldt, Heewon Bahng

The development of push−pull organic dyes utilizing the donor−(π-conjugated bridge)−acceptor (D−π−A) motif has induced a paradigm shift in the design of efficient nanocrystalline dye-sensitized solar cells (DSSCs), offering control over the aesthetic prope ...

2018

Libraries of Extremely Localized Molecular Orbitals. 3. Construction and Preliminary Assessment of the New Databanks

Benjamin André René Meyer

The fast and reliable determination of wave functions and electron densities of macromolecules has been one of the goals of theoretical chemistry for a long time, and in this context, several linear scaling techniques have been successfully devised over th ...

AMER CHEMICAL SOC2018

Multilaser Conformer-Selective Spectroscopy of Cold Biomolecular Ions in the Gas Phase

Aleksandr Pereverzev

Proteins and even small peptides play crucial role in almost any biological. Biological activity and functionality of these building blocks of life are determined not only by their primary structure, but also by their 3D orientation â secondary, tertiary ...

EPFL2017

Solvent fluctuations and nuclear quantum effects modulate the molecular hyperpolarizability of water

Michele Ceriotti, Sylvie Roke, David Mark Wilkins, Andrea Grisafi, Gabriele Tocci, Chung-Wen Liang

Second-harmonic scattering (SHS) experiments provide a unique approach to probe noncentrosymmetric environments in aqueous media, from bulk solutions to interfaces, living cells, and tissue. A central assumption made in analyzing SHS experiments is that ea ...

Amer Physical Soc2017

Studies of the resonance structure in D-0 -> (KSK +/-)-K-0 pi(-/+) decays

Jian Wang, Olivier Schneider, Zhirui Xu, Yiming Li, Yi Zhang, Lei Zhang, Aurelio Bay, Guido Haefeli, Jessica Prisciandaro, Tatsuya Nakada, Christoph Frei, Mark Tobin, Frédéric Blanc, Minh Tâm Tran, Michel De Cian, Greig Alan Cowan, Maurizio Martinelli, Donal Patrick Hill, Liang Sun, Pietro Marino, Luca Pescatore, Mirco Dorigo, Sebastiana Gianì, Liupan An, Elena Graverini, Federico Leo Redi, Chitsanu Khurewathanakul, Ilya Komarov, Renato Quagliani, Maxime Schubiger, Guido Andreassi, Bastien Luca Muster, Violaine Bellée, Maria Vieites Diaz, Frédéric Guillaume Dupertuis, Olivier Göran Girard, Axel Kuonen, Julien Rouvinet, Albert Puig Navarro, Alessandro Mapelli, Lucía Castillo García

Amplitude models are applied to studies of resonance structure in D-0 -> (KSK-)-K-0 pi(+) and D-0 -> (KSK+)-K-0 pi(-) decays using pp collision data corresponding to an integrated luminosity of 3.0 fb(-1) collected by the LHCb experiment. Relative magnitud ...

American Physical Society2016

Padé approximation of the adiabatic electron contribution to the gyrokinetic quasi-neutrality equation in the ORB5 code

Laurent Villard, Stephan Brunner, Emmanuel Lanti, Ben McMillan, Julien Stanislas Pierre Dominski

This work aims at completing the implementation of a solver for the quasineutrality equation using a PadÃ© approximation in the global gyrokinetic code ORB5. Initially [Dominski, Ph.D. thesis, 2016], the Pade approximation was only implemented for the kine ...

2016

In silico design and screening of hypothetical MOF-74 analogs and their experimental synthesis

Berend Smit, Kyriakos Stylianou, Samantha Lynn Anderson

In this work we present the in silico design of metal-organic frameworks (MOFs) exhibiting 1-dimensional rod topologies. We introduce an algorithm for construction of this family of MOF topologies, and illustrate its application for enumerating MOF-74-type ...

2016