Publications associées à Force de van der Waals

Performance of van der Waals Corrected Functionals for Guest Adsorption in the M-2(dobdc) Metal-Organic Frameworks

Small-molecule binding in metal-organic frameworks (MOFs) can be accurately studied both experimentally and computationally, provided the proper tools are employed. Herein, we compare and contrast properties associated with guest binding by means of densit ...

American Chemical Society2017

Optical imaging of surface chemistry and dynamics in confinement

Sylvie Roke, Carlos Alberto Macias Romero, Halil Ibrahim Okur, Igor Nahálka

We imaged the interfacial structure and dynamics of water in a microscopically confined geometry in three dimensions and on millisecond time scales with a 3D structurally illuminated wide-field second harmonic microscope. Image contrast reports on the orie ...

American Association for the Advancement of Science2017

Impact of dispersion forces on the atomic structure of a prototypical network-forming disordered system: The case of liquid GeSe2

Assil Bouzid, Carlo Massobrio

Aset of structural properties of liquid GeSe2 are calculated by using first-principles molecular dynamics and including, for the first time, van derWaals dispersion forces. None of the numerous atomic-scale simulations performed in the past on this prototy ...

Amer Inst Physics2017

Charge generation by ultra-stretchable elastomeric electrets

Frank Nüesch, Yee Song Ko

Novel piezoelectric elastomers are synthesized and their long term stability and piezoelectric properties are investigated. They are thin film composites of specially designed polymer nanoparticles with high glass transition temperatures (T-g) and side gro ...

Royal Soc Chemistry2017

The Molecular Mechanism of Nanodroplet Stability

Sylvie Roke, Yixing Chen, Halil Ibrahim Okur, David Mark Wilkins, Evangelia Zdrali

Mixtures of nano- and microscopic oil droplets in water have recently been rediscovered as miniature reaction vessels in microfluidic environments and are important constituents of many environmental systems, food, personal care, and medical products. The ...

Amer Chemical Soc2017

A Longitudinal Study of Neurite Orientation Dispersion and Density Imaging in Relapsing-Remitting Multiple Sclerosis

Jean-Philippe Thiran, David Paul Roger Romascano, Elda Fischi Gomez, Alessandro Daducci, Cristina Granziera, Gunnar Krüger, Guillaume Bonnier

We explored the sensitivity of a novel diffusion MRI method i.e. “Neurite orientation dispersion and density imaging”, to detect and characterize brain microstructure alterations in relapsing-remitting multiple sclerosis patients that we followed up over 2 ...

2017

Viruses at solid-water interfaces: A systematic assessment of interactions driving adsorption

Tamar Kohn, Meret Aeppli, Anne Thérèse Sigstam, Antonius Magdi Hakeem Armanious, Dominik Refardt

Adsorption to solid-water interfaces is a major process governing the fate of waterborne viruses in natural and engineered systems. The relative contributions of different interaction forces to adsorption and their dependence on the physicochemical propert ...

Amer Chemical Soc2016

Molecular Basis for Differential Patterns of Drug Resistance in Influenza N1 and N2 Neuraminidase

Jeffrey David Jensen

Neuraminidase (NA) inhibitors are used for the prevention and treatment of influenza A virus infections. Two subtypes of NA, N1 and N2, predominate in viruses that infect humans, but differential patterns of drug resistance have emerged in each subtype des ...

Amer Chemical Soc2016

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Force de van der Waals

Performance of van der Waals Corrected Functionals for Guest Adsorption in the M-2(dobdc) Metal-Organic Frameworks

Optical imaging of surface chemistry and dynamics in confinement

Impact of dispersion forces on the atomic structure of a prototypical network-forming disordered system: The case of liquid GeSe2

Charge generation by ultra-stretchable elastomeric electrets

The Molecular Mechanism of Nanodroplet Stability

A Longitudinal Study of Neurite Orientation Dispersion and Density Imaging in Relapsing-Remitting Multiple Sclerosis

Viruses at solid-water interfaces: A systematic assessment of interactions driving adsorption

Development of Accurate and Efficient Electronic Structure Approaches for the Description of Organic Systems

Dipole codes attractively encode glue functions

Molecular Basis for Differential Patterns of Drug Resistance in Influenza N1 and N2 Neuraminidase

Graph Chatbot

Chattez avec Graph Search

Performance of van der Waals Corrected Functionals for Guest Adsorption in the M-2(dobdc) Metal-Organic Frameworks

Dipole codes attractively encode glue functions

Charge generation by ultra-stretchable elastomeric electrets

The Molecular Mechanism of Nanodroplet Stability

Optical imaging of surface chemistry and dynamics in confinement

Impact of dispersion forces on the atomic structure of a prototypical network-forming disordered system: The case of liquid GeSe2

Viruses at solid-water interfaces: A systematic assessment of interactions driving adsorption

Development of Accurate and Efficient Electronic Structure Approaches for the Description of Organic Systems

A Longitudinal Study of Neurite Orientation Dispersion and Density Imaging in Relapsing-Remitting Multiple Sclerosis

Molecular Basis for Differential Patterns of Drug Resistance in Influenza N1 and N2 Neuraminidase