Publication

To bend or not to bend, the dilemma of multiple bonds

Related publications (41)

Ultrafast Photoelectron and Optical Spectroscopies of Photoinduced Processes in Molecular Systems in Solution

Investigating molecular excitations with femtosecond time resolution is of pivotal importance to understand the out-of-equilibrium processes taking place in molecular systems upon light absorption. The photochemistry of solvated species is heavily determin ...

EPFL2020

Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Diego José Pasquier

This thesis is dedicated to the study of various aspects of the electronic structure of two-dimensional transition metal dichalcogenides (TMDs) of chemical composition MX

_2

(where M is a transition metal atom and X= S, Se, Te), using a combination of \te ...

EPFL2019

The Periodic Table and Kinetics?

André Merbach, Lothar Helm

Mendeleev in his first publication ordered the chemical elements following an apparent periodicity of properties such as atomic volume and valence. The reactivity of the elements was only studied systematically many years later. To illustrate the systemati ...

2019

Engineered acoustic mismatch for anchor loss control in contour mode resonators

Luis Guillermo Villanueva Torrijo, Annalisa De Pastina, Andrea Lozzi

Improving the quality factor (Q) of electromechanical resonators is of paramount importance for different applications, ranging from RF filtering to sensing. In this paper, we present a modified fabrication process flow for contour mode resonators to simul ...

2019

Electronic Structure and Topology of Novel Materials

Antimo Marrazzo

The ground and excited electronic states are responsible for several materials' properties. The modern capability of rapidly solving on a computer the fundamental equations of relativistic or semi-relativistic quantum mechanics allows to compute the electr ...

EPFL2019

Feature optimization for atomistic machine learning yields a data-driven construction of the periodic table of the elements

Michele Ceriotti, Félix Benedito Clément Musil, Michael John Willatt

Machine-learning of atomic-scale properties amounts to extracting correlations between structure, composition and the quantity that one wants to predict. Representing the input structure in a way that best reflects such correlations makes it possible to im ...

2018

Are pi-pi Interactions in Ionic Liquids Related to Conductivities?

Paul Joseph Dyson, Rosario Scopelliti, Zhaofu Fei, Farzaneh Fadaei Tirani, Zhangjun Huang

A series of functionalised imidazolium halide salts with substituents able to form pi-bonds have been prepared and characterised. Subsequent reaction of these imidazolium halides with Ag[C(CN)(3)] affords imidazolium-based ionic liquids (ILs), some of whic ...

WILEY-V C H VERLAG GMBH2018

Micro-moirés combining metallic patterns and micro-lenses

Jürgen Brugger, Roger Hersch, Thomas Walger

Moiré effects appear when two sets of periodic structures are superimposed. By combining advanced micro-fabrication technologies and the moiré theory, we are able to obtain visually appealing moirés. Specific metallic patterns are created on one side of a ...

2017

Development of prediction models for the reactivity of organic compounds with ozone in aqueous solution by quantum chemical calculations: Role of delocalized and localized molecular orbitals

Urs von Gunten, Minju Lee, Jeremy Samuel Arey, Saskia Gisela Zimmermann-Steffens, Kathrin Fenner

Second-order rate constants (k(O3)) for the reaction of ozone with micropollutants are essential parameters for the assessment of micropollutant elimination efficiency during ozonation in water and wastewater treatment. Prediction models for k(O3) were dev ...

Amer Chemical Soc2015

What Can Integral Equation Do for Array Analysis?

Anja Skrivervik

This contribution starts with a short overview on classic Integral Equation techniques for the analysis of periodic structures. Then, an efficient iterative procedure will be presented for periodic and quasi periodic structures. © 2014 European Association ...

2014

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Crystalline and correlated phases in two-dimensional transition metal dichalcogenides

Diego José Pasquier

This thesis is dedicated to the study of various aspects of the electronic structure of two-dimensional transition metal dichalcogenides (TMDs) of chemical composition MX

_2

(where M is a transition metal atom and X= S, Se, Te), using a combination of \te ...

EPFL2019