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VESTA is a three-dimensional visualization system for crystallographic studies and electronic state calculations. It has been upgraded to the latest version, VESTA 3 , implementing new features including drawing the exte...

The challenges for further development of Li rechargeable batteries for electric vehicles are reviewed. Most important is safety, which requires development of a nonflammable electrolyte with either a larger window betwe...

It is shown that the free energy of a volume V of an isotropic system of nonuniform composition or density is given by : NV∫V [f0(c)+κ(▿c)2]dV, where NV is the number of molecules per unit volume, ▿c the compositi...

This article describes the software suite GROMACS (Groningen MAchine for Chemical Simulation) that was developed at the University of Groningen, The Netherlands, in the early 1990s. The software, written in ANSI C, origi...

Matplotlib is a 2D graphics package used for Python for application development, interactive scripting,and publication-quality image generation across user interfaces and operating systems

A critical component in the interpretation of systems-level studies is the inference of enriched biological pathways and protein complexes contained within OMICs datasets. Successful analysis requires the integration of ...

Multiwfn is a multifunctional program for wavefunction analysis. Its main functions are: (1) Calculating and visualizing real space function, such as electrostatic potential and electron localization function at point, i...

The CCP4 (Collaborative Computational Project, Number 4) software suite is a collection of programs and associated data and software libraries which can be used for macromolecular structure determination by X-ray crystal...

Adequate initial configurations for molecular dynamics simulations consist of arrangements of molecules distributed in space in such a way to approximately represent the system's overall structure. In order that the simu...

Capillarity. The Nature and Thermodynamics of Liquid Interfaces. Surface Films on Liquid Substrates. Electrical Aspects of Surface Chemistry. Long--Range Forces. Surfaces of Solids. Surfaces of Solids: Microscopy and Spe...

packages to offer tidy interfaces for data operation and visualization. Other new features include gene set enrichment analysis and comparison of enrichment results from multiple gene lists. We anticipate that clusterPro...

Conventional optical components rely on gradual phase shifts accumulated during light propagation to shape light beams. New degrees of freedom are attained by introducing abrupt phase changes over the scale of the wavele...

Materias / palabras clave: surface and interface science, nanotechnology, vacuum science, material science, electronic engineering; Technology

Materias / palabras clave: functional interfaces, functional surfaces, 2d materials, membranes, coating materials, biointerfaces; Science: Physics; Technology

Materias / palabras clave: engineering of materials, modelization, nanostructured materials, surface reactivity, interfaces, environmental chemistry; Science: Physics; Science: Chemistry

Materias / palabras clave: interfaces, surface science, materials science, coatings, composite materials, biointerfaces; Technology: Electrical engineering. Electronics. Nuclear engineering: Materials of engineering and construction. Mechanics of ...

Materias / palabras clave: colloids, interface science, functional materials, surface science, nanomedicine, soft matter; Science: Chemistry: Physical and theoretical chemistry; Technology: Chemical technology

Materias / palabras clave: nanomaterials, functional materials, theories, computations, atomic and molecular, surfaces and interfaces; Science: Chemistry; Science: Physics

Materias / palabras clave: chemistry, catalysis, engineering, materials, nanoscience, chemistry and biology interface; Science: Chemistry: Organic chemistry: Biochemistry; Science: Chemistry: Physical and theoretical chemistry; Science: Mathematic...

Materias / palabras clave: electrochemistry, electrochemical surface science, batteries, interfaces? electrocatalysis, electrochemical sensor; Technology: Chemical technology: Industrial electrochemistry; Science: Chemistry

Materias / palabras clave: philosophy of biological sciences, history of biological sciences, epistemology of biology, history of biology and scientific education, history of biology and its epistemic interfaces, philosophy of biology and its epis...

Materias / palabras clave: interactive systems, computing systems, interface evaluation, interaction design, applied computer science; Science: Mathematics: Instruments and machines: Electronic computers. Computer science: Computer software; Techn...

Materias / palabras clave: medical sciences, clinical specialties, biomedical sciences, community research, rehabilitation, allied health; Medicine