Concept

Théorie de l'état de transition

Publications associées (207)

A universal chemical potential for sulfur vapours

The unusual chemistry of sulfur is illustrated by the tendency for catenation. Sulfur forms a range of open and closed S-n species in the gas phase, which has led to speculation on the composition of sulfur vapours as a function of temperature and pressure ...

Royal Soc Chemistry2016

Intrinsic structural transitions of the pyramidal I < c plus a > dislocation in magnesium

William Curtin, Zhaoxuan Wu

The stability of a mixed < c + a > dislocation on the pyramidal I plane in magnesium is studied using molecular dynamics simulations. The dislocation is metastable and undergoes a thermally-activated transition to either a sessile, basal-dissociated < c + ...

Pergamon-Elsevier Science Ltd2016

Using Separable Nonnegative Matrix Factorization Techniques for the Analysis of Time-Resolved Raman Spectra

Robert Gerhard Jérôme Luce

The key challenge of time-resolved Raman spectroscopy is the identification of the constituent species and the analysis of the kinetics of the underlying reaction network. In this work we present an integral approach that allows for determining both the co ...

Sage Publications Inc2016

MATHICSE Technical Report : Using separable non-negative matrix factorization techniques for the analysis of time-resolved Raman spectra

Robert Gerhard Jérôme Luce

MATHICSE2016

Intrinsic structural transitions of the pyramidal I 〈c+a〉 dislocation in magnesium

William Curtin, Zhaoxuan Wu

Elsevier2016

Study of pi(0) pair production in single-tag two-photon collisions

Olivier Schneider, Yiming Li, Mingkui Wang, Chao Wang, Tagir Aushev, Sun Hee Kim, Tara Nanut, Jun Yong Kim, Ji Hyun Kim, Donghyun Kim, Dipanwita Dutta

We report a measurement of the differential cross section of pi(0) pair production in single-tag two-photon collisions, gamma*gamma -> pi(0) pi(0), in e(+) e(-) scattering. The cross section is measured for Q(2) up to 30 GeV2, where Q(2) is the negative of ...

Amer Physical Soc2016

Effect of service temperature on the shear creep response of rigid polyurethane foam used in composite sandwich floor panels

Thomas Keller, Mário Alexandre De Jesus Garrido

This paper presents an experimental and analytical study about the effect of temperature on the shear creep response of a rigid polyurethane (PUR) foam within the scope of sandwich panel application in building floors. Shear creep tests were carried out on ...

Elsevier2016

CO Desorption from a Catalytic Surface: Elucidation of the Role of Steps by Velocity-Selected Residence Time Measurements

Directly measuring the rate of a surface chemical reaction remains a challenging problem. For example, even after more than 30 years of study, there is still no agreement on the kinetic parameters for one of the simplest surface reactions: desorption of CO ...

Amer Chemical Soc2015

Long-Range Bonding/Nonbonding Interactions: A Donor Acceptor Resonance Studied by Dynamic NMR

Long-range bonding interactions were evaluated using variable-temperature NMR spectroscopy and suitable 2'-CH2X-substituted phenylpyridines (X = Me, NMe2, OMe, F). It was found that the arylpyridyl rotational barriers were lower when electronegative atoms ...

Amer Chemical Soc2015

Control without Kinetic Models via Rate Estimation and Feedback Linearization

Abeynaya Gnanasekaran

The concept of variant and invariant states has been developed to decouple the various dynamic effects in reaction systems. The aim of the project is to explore the applications of this concept to control of reaction systems. The concept of reaction varian ...

2015

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