Publications associées à Dimère

Tunneling Splittings in Water Clusters from Path Integral Molecular Dynamics

Christophe Louis Joseph Jean-Luc Vaillant

We present calculations of tunneling splittings in selected small water clusters, based on a recently developed path integral molecular dynamics (PIMD) method. The ground-rotational-state tunneling motions associated with the largest splittings in the wate ...

2019

Strongly Red-Shifted Photoluminescence Band Induced by Molecular Twisting in Cyanine (Cy3) Dye Films

Frank Nüesch, Roland Hany, Jakob Heier, Surendra Babu Anantharaman, Chuyao Peng

Cyanine dye molecules, used as monomers or in aggregate form, find interesting applications in optoelectronic devices. Among the various aggregate species incorporating organic dyes, centrosymmetric dimers are known as nonluminescent. They can act as excit ...

American Chemical Society2017

The Nature of Ion Conduction in Methylammonium Lead Iodide: A Multimethod Approach

Michael Graetzel, Joachim Maier, Alessandro Senocrate

By applying a multitude of experimental techniques including H-1, N-14, Pb-207 NMR and I-127 NMR/NQR, tracer diffusion, reaction cell and doping experiments, as well as stoichiometric variation, conductivity, and polarization experiments, iodine ions are u ...

Wiley-Blackwell2017

Predicting Product Distribution of Propene Dimerization in Nanoporous Materials

Berend Smit

In this work, a theoretical framework is developed to explain and predict changes in the product distribution of the propene dimerization reaction, which yields a mixture of C-6 olefin isomers, resulting from the use of different porous materials as cataly ...

American Chemical Society2017

Structural, Dynamical, and Electronic Properties of Liquid Water: A Hybrid Functional Study

Alfredo Pasquarello, Giacomo Francesco Leonardo Miceli, Francesco Ambrosio

We study structural, dynamical, and electronic properties of liquid water through ab initio molecular dynamics (MD) simulations based on a hybrid functional which includes nonlocal van der Waals (vdW) interactions. The water dimer, the water hexamer, and t ...

Amer Chemical Soc2016

Characterization of mAb dimers reveals predominant dimer forms common in therapeutic mAbs

Henning Paul-Julius Stahlberg

The formation of undesired high molecular weight species such as dimers is an important quality attribute for therapeutic monoclonal antibody formulations. Therefore, the thorough understanding of mAb dimerization and the detailed characterization mAb dime ...

Informa UK Limited2016

Revealing GPCR oligomerization at the single-molecule level through a nanoscopic lens: methods, dynamics and biological function

Aleksandra Radenovic, Paolo Annibale, Marco Scarselli

The introduction of super-resolution fluorescence microscopy has allowed the visualization of single proteins in their biological environment. Recently, these techniques have been applied to determine the organization of class A G-protein-coupled receptors ...

Wiley-Blackwell2015

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

Method and device for sensing humidity with reversible molecular dimerization

László Forró, Arnaud Magrez, Endre Horvath, Primoz Rebernik Ribic

The present invention relates to the use of reversible dimerization of methylene blue (MB) for sensing humidity. The invention preferably uses titanate nanowires coated with MB. The self-organizational properties of MB on the surface of this nanostructured ...

2015

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Dimère

Tunneling Splittings in Water Clusters from Path Integral Molecular Dynamics

Strongly Red-Shifted Photoluminescence Band Induced by Molecular Twisting in Cyanine (Cy3) Dye Films

The Nature of Ion Conduction in Methylammonium Lead Iodide: A Multimethod Approach

Predicting Product Distribution of Propene Dimerization in Nanoporous Materials

Structural, Dynamical, and Electronic Properties of Liquid Water: A Hybrid Functional Study

Molecular bonding with the RPAx: From weak dispersion forces to strong correlation

Characterization of mAb dimers reveals predominant dimer forms common in therapeutic mAbs

Revealing GPCR oligomerization at the single-molecule level through a nanoscopic lens: methods, dynamics and biological function

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

Method and device for sensing humidity with reversible molecular dimerization

Graph Chatbot

Chattez avec Graph Search

Predicting Product Distribution of Propene Dimerization in Nanoporous Materials

Tunneling Splittings in Water Clusters from Path Integral Molecular Dynamics

The Nature of Ion Conduction in Methylammonium Lead Iodide: A Multimethod Approach

Strongly Red-Shifted Photoluminescence Band Induced by Molecular Twisting in Cyanine (Cy3) Dye Films

Structural, Dynamical, and Electronic Properties of Liquid Water: A Hybrid Functional Study

Revealing GPCR oligomerization at the single-molecule level through a nanoscopic lens: methods, dynamics and biological function

Characterization of mAb dimers reveals predominant dimer forms common in therapeutic mAbs

Molecular bonding with the RPAx: From weak dispersion forces to strong correlation

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

Method and device for sensing humidity with reversible molecular dimerization