Concept
Potentiel chimique
Publications associées (280)
Peptide-Cation Systems: Conformational Search, Benchmark Evaluation, and Force Field Parameter Adjustment Using Regularized Linear Regression
Metal cations often play an important role in shaping the three-dimensional structure of peptides. As an example, the model system AcPheAla5LysH+ is investigated in order to fully understand the forces that stabilize its helical structure. In particular, t ...
EPFL2018Bimodal atomic force microscopy for the characterization of thiolated self-assembled monolayers
Francesco Stellacci, Quy Ong Khac, Nikolaos Nianias, Evangelia-Nefeli Athanasopoulou
Surface coatings are becoming an integral part of materials. In recent years, molecular coatings have found larger acceptance and uses. Among them, self-assembled monolayers (SAMs) are attractive due to their inherent versatility, manufacturability, and sc ...
ROYAL SOC CHEMISTRY2018Fe-Ni ideality during core formation on Earth
Earth's core is essentially composed of a light-element bearing iron-nickel alloy (Birch 1964). The nickel content in the core has negligible effects on physical properties such as density and compressibility (e.g., Lin et al. 2003; Kantor et al. 2007; Mar ...
MINERALOGICAL SOC AMER2018Time reversal and symmetries of time correlation functions
Sara Bonella, Alessandro Coretti
The time reversal invariance of classical dynamics is reconsidered in this paper with specific focus on its consequences for time correlation functions and associated properties such as transport coefficients. We show that, under fairly common assumptions ...
2018Re-assessing the Formation of N-nitrosamines during Chloramination of Various Nitrogenous Compounds using Specific and Total N-nitrosamines Analysis
Urs von Gunten, Florian Frédéric Vincent Breider, Andrea Piazzoli
N-nitrosamines (NOAs) are potent carcinogenic and mutagenic compounds that can be present in water, biological fluids, food, consumer products and cigarette smoke. Several studies have shown that the formation of NOAs in water can arise from the reactions ...
2018The Epistemological Foundations of Freud's Energetics Model
This article aims to clarify the epistemological foundations of the Freudian energetics model, starting with a historical review of the 19th century scientific context in which Freud's research lay down its roots. Beyond the physiological and anatomical re ...
FRONTIERS MEDIA SA2018A comparison of Redlich-Kister polynomial and cubic spline representations of the chemical potential in phase field computations
Free energies play a central role in many descriptions of equilibrium and non-equilibrium properties of solids. Continuum partial differential equations (PDEs) of atomic transport, phase transformations and mechanics often rely on first and second derivati ...
Elsevier2017