Concept

Énergie de dissociation d'une liaison

Publications associées (201)

The Structure of the Protonated Serine Octamer

Ursula Röthlisberger, Thomas Rizzo, Stephan Warnke, Marta Andreia Da Silva Perez, Valeriu Scutelnic, Aurelien Stephen Arnaud Gregor, Carsten Baldauf

The amino acid serine has long been known to form a protonated “magic-number” cluster containing eight monomer units that shows an unusually high abundance in mass spectra and has a remarkable homochiral preference. Despite many experimental and theoretica ...

2018

Formation and reactivity of inorganic and organic chloramines and bromamines during oxidative water treatment

Urs von Gunten, Jeremy Samuel Arey, Daniela Trogolo, Michèle Bernadette Heeb

The formation and further reactions of halamines during oxidative water treatment can be relevant for water quality. In this study, we investigated the formation and reactivity of several inorganic and organic halamines (monochloramine, N-chloromethylamine ...

Elsevier2017

Hybrid Processing of Thermoplastic Based Multimaterials

Rajasundar Chandran

There is a growing interest in exploring novel material combinations and processing technology to manufacture complex 3D shaped polymer and composite structures. In the field of prosthetics and orthotics, this need is significant with additional challenges ...

EPFL2017

High diffusion barrier and piezoelectric nanocomposites based on polyvinylidene fluoride-trifluoroethylene copolymer and hydrophobized clay

Yves Leterrier, Dragan Damjanovic, Antonia Neels, Sara Dalle Vacche, Olha Sereda, Alex Dommann

Nanocomposites based on polyvinylidene fluoride– trifluoroethylene copolymer and up to 4 vol % of hydrophobized clay nanoparticles are investigated. The structure, piezoelectric properties, and oxygen permeability of solvent cast films are analyzed before ...

Wiley-Blackwell2017

Experimental investigation into bond behavior of FRP-to-concrete under mixed-mode I/II loading

Ardalan Hosseini

The main purpose of the current study is to investigate bond behavior of fiber reinforced polymer (FRP)-to-concrete under mixed-mode I/II loading. To attain this end, 150 × 150 × 330 mm concrete prisms were cast and strengthened by carbon fiber reinforced ...

Elsevier2017

Nuclear Quantum Effects in Water Reorientation and Hydrogen-Bond Dynamics

David Mark Wilkins

We combine classical and ring polymer molecular dynamics simulations with the molecular jump model to provide a molecular description of the nuclear quantum effects (NQEs) on water reorientation and hydrogen-bond dynamics in liquid H2O and D2O. We show tha ...

Amer Chemical Soc2017

Catalytic Enantioselective Transformations Involving C-H Bond Cleavage by Transition-Metal Complexes

Nicolai Cramer, Shouguo Wang, Christopher Gordon Newton, Caio Costa Oliveira

The development of new methods for the direct functionalization of unactivated C-H bonds is ushering in a paradigm shift in the field of retrosynthetic analysis. In particular, the catalytic enantioselective functionalization of C-H bonds represents a high ...

2017

Quantum chemical studies of reactive species in water

Daniela Trogolo

In this thesis, quantum chemical methods have been applied to elucidate the thermodynamics and the kinetics of reactions involving reactive species in water. Due to their high reactivity in water, many transient species are difficult to study by experiment ...

EPFL2016

CO2 Binding and Induced Structural Collapse of a Surface-Supported Metal-Organic Network

Klaus Kern, Sebastian Stepanow, Christopher Seiji Kley

Extensive efforts have been directed toward identifying catalytic material composites for efficiently transforming CO2 into valuable chemicals. Within this long-standing scientific challenge, the investigation of model systems is of particular interest to ...

Amer Chemical Soc2016

Chiral Phosphoric Acid Catalyzed Asymmetric Ugi Reaction by Dynamic Kinetic Resolution of the Primary Multicomponent Adduct

Jieping Zhu

Reaction of isonitriles with 3-(arylamino)isobenzofuran-1(3H)-ones in the presence of a catalytic amount of an octahydro (R)-binol-derived chiral phosphoric acid afforded 3-oxo-2-arylisoindoline-1-carboxamides in high yields with good to high enantioselect ...

Wiley-Blackwell2016

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