Publications associées à Equilibrium chemistry

Chemical Equilibria in Formic Acid/Amine-CO2 Cycles under Isochoric Conditions using a Ruthenium(II) 1,2-Bis(diphenylphosphino)ethane Catalyst

Gabor Laurenczy, Katerina Stefania Sordakis, Matthias Beller

The equilibrium position in formic acid/amine–CO2 systems has been examined as a function of pressure and tem- perature under isochoric conditions. The homogeneous ruthe- nium(II)-1,2-bis(diphenylphosphino)ethane catalyst was active in both reactions, that ...

Wiley-VCH Verlag Berlin2014

Spinodal Decomposition Mechanism of gamma' Precipitation in a Single Crystal Ni-Based Superalloy

Alain Jacot, Charles-André Gandin, Luc Rougier

The precipitation of gamma' phase in a commercial single crystal Ni-based superalloy with different cooling rates has been investigated by atom probe tomography. Numerous irregular interconnected gamma' precipitates in the size range of similar to 30 to 50 ...

Springer Verlag2014

Hsp70 chaperones are non-equilibrium machines that achieve ultra-affinity by energy consumption

Paolo De Los Rios, Alessandro Barducci

70-kDa Heat shock proteins are ATP-driven molecular chaperones that perform a myriad of essential cellular tasks. Although structural and biochemical studies have shed some light on their functional mechanism, the fundamental issue of the role of energy co ...

Elife Sciences Publications Ltd2014

Solution-Controlled Dissolution of Supplementary Cementitious Material Glasses at pH 13: The Effect of Solution Composition on Glass Dissolution Rates

Ruben Anton Snellings

Supplementary cementitious materials (SCMs) are widely used to partially replace portland clinker in blended cements. Reducing clinker contents further without compromising the development of early strength necessitates a better assessment and enhancement ...

Wiley-Blackwell2013

The Charge Transfer Problem in Density Functional Theory Calculations of Aqueously Solvated Molecules

Ivano Tavernelli, Basile Curchod

Recent advances in algorithms and computational hardware have enabled the calculation of excited states with time-dependent density functional theory (TDDFT) for large systems of O(1000) atoms. Unfortunately, the aqueous charge transfer problem in TDDFT (w ...

American Chemical Society2013

Acid-base properties of the N3 ruthenium(II) solar cell sensitizer: a combined experimental and computational analysis

Mohammad Khaja Nazeeruddin, Filippo de Angelis

We report a combined spectro-photometric and computational investigation of the acid-base equilibria of the N3 solar cell sensitizer [Ru(dcbpyH(2))(2)(NCS)(2)] (dcbpyH(2) = 4,4'-dicarboxyl-2,2' bipyridine) in aqueous/ethanol solutions. The absorption spect ...

Royal Society of Chemistry2012

Modelling early age hydration kinetics of alite

Karen Scrivener, Shashank Bishnoi, Aditya Kumar

The modelling platform mu ic [1] has been used to investigate the mechanisms occurring during the hydration of alite. It is shown that it is possible to obtain a good simulation of the hydration kinetics through the implementation of two mechanisms: a diss ...

2012

Massively parallel measurements of molecular interaction kinetics on a microfluidic platform

Sebastian Maerkl, Marcel Geertz

Quantitative biology requires quantitative data. No high-throughput technologies exist capable of obtaining several hundred independent kinetic binding measurements in a single experiment. We present an integrated microfluidic device (k-MITOMI) for the sim ...

Natl Acad Sciences2012

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Equilibrium chemistry

Incentives for Subjective Evaluations with Private Beliefs

Chemical Equilibria in Formic Acid/Amine-CO2 Cycles under Isochoric Conditions using a Ruthenium(II) 1,2-Bis(diphenylphosphino)ethane Catalyst

Spinodal Decomposition Mechanism of gamma' Precipitation in a Single Crystal Ni-Based Superalloy

Hsp70 chaperones are non-equilibrium machines that achieve ultra-affinity by energy consumption

Solution-Controlled Dissolution of Supplementary Cementitious Material Glasses at pH 13: The Effect of Solution Composition on Glass Dissolution Rates

Dual and multi-stimuli responsive polymeric nanoparticles for programmed site-specific drug delivery

The Charge Transfer Problem in Density Functional Theory Calculations of Aqueously Solvated Molecules

Acid-base properties of the N3 ruthenium(II) solar cell sensitizer: a combined experimental and computational analysis

Modelling early age hydration kinetics of alite

Massively parallel measurements of molecular interaction kinetics on a microfluidic platform

Graph Chatbot

Chattez avec Graph Search

Massively parallel measurements of molecular interaction kinetics on a microfluidic platform

Incentives for Subjective Evaluations with Private Beliefs

Hsp70 chaperones are non-equilibrium machines that achieve ultra-affinity by energy consumption

Dual and multi-stimuli responsive polymeric nanoparticles for programmed site-specific drug delivery

Modelling early age hydration kinetics of alite

Spinodal Decomposition Mechanism of gamma' Precipitation in a Single Crystal Ni-Based Superalloy

Solution-Controlled Dissolution of Supplementary Cementitious Material Glasses at pH 13: The Effect of Solution Composition on Glass Dissolution Rates

The Charge Transfer Problem in Density Functional Theory Calculations of Aqueously Solvated Molecules

Acid-base properties of the N3 ruthenium(II) solar cell sensitizer: a combined experimental and computational analysis

Chemical Equilibria in Formic Acid/Amine-CO2 Cycles under Isochoric Conditions using a Ruthenium(II) 1,2-Bis(diphenylphosphino)ethane Catalyst