Publication

Solvatochromic Analysis of Partition Coefficients in the o-Nitrophenyl Octyl Ether (o-NPOE)/Water System

Related publications (38)

STRUCTURAL FORM-FINDING FROM RECLAIMED BAR ELEMENTS

This thesis applies structural optimization techniques to develop a general methodology for design from reuse. A thorough case study serves as proof-of-concept. Reusing elements from dismantled structures appears as a promising, yet little explored approac ...

2018

Thermo-mechanical performance of energy pile groups

Alessandro Francesco Rotta Loria

Employing geostructures as structural supports and geomaterials as reservoirs for the extraction and storage of heat represent effective means to meet human activity needs since ancient times. This doctoral thesis focuses on the thermo-mechanical behaviour ...

EPFL2018

On Lewis acidity/basicity and hydrogen bonding in the equation-of-state approach

Vassily Hatzimanikatis

The central objective of this work is to revisit the development of the widely used Lewis acidity/basicity scales and seek possibilities for their eventual unification. The primary focus is on hydrogen bonding interactions which are dealt with the estimati ...

Academic Press Ltd- Elsevier Science Ltd2017

Isobaric first-principles molecular dynamics of liquid water with nonlocal van der Waals interactions

Alfredo Pasquarello, Giacomo Francesco Leonardo Miceli

We investigate the structural properties of liquid water at near ambient conditions using first-principles molecular dynamics simulations based on a semilocal density functional augmented with nonlocal van der Waals interactions. The adopted scheme offers ...

American Institute of Physics2015

A geometrical approach to evaluate constitutive elements of structural robustness

Corentin Jean Dominique Fivet

The approach proposed here is linked to Maxwell’s reciprocal representation of force and geometry for structural modelling. It is based on the approach of Fivet & Zastavni [2014] of modelling interactive constraint-based structural equilibriums in which ge ...

2015

A geometrical approach to evaluating constitutive elements of structural robustness

Corentin Jean Dominique Fivet

2015

Experimental and numerical study on structural behavior of a single timber textile module

Yves Weinand, Laurent Humbert, Markus Hudert, Meisam Sistaninia

The present work investigates an innovative class of timber structure with potential applications in roofing, facade and bridge construction, called Timberfabric. The development of Timberfabric structures originates from the approach of harnessing the str ...

Elsevier2013

Development of New Bicyclic Peptide Formats and their Application in Directed Evolution

Shiyu Chen

Cyclic peptides have a range of properties that make them attractive as therapeutics such as high binding affinity, good target selectivity and low toxicity. While most peptides in the clinic are derived from nature, various powerful in vitro evolution tec ...

EPFL2013

Interplay of Intra- and Intermolecular H-Bonding in a Progressively Solvated Macrocyclic Peptide

Thomas Rizzo, Natalia Nagornova

Studying solvation of a large molecule on an atomic level is challenging because of the transient character and inhomogeneity of hydrogen bonding in liquid water. We studied water clusters of a protonated macrocyclic decapeptide, gramicidin S, which were p ...

2012

This thesis introduces original formalisms to achieve an accurate description of dispersion interactions within the framework of density functional theory. The presented research focuses on two specific objectives related to density functional approximatio ...

EPFL2012

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