Sentences with phrase «electronic structure for»

The paper unites disparate views of electronic structure for the first time, helping to connect theory with organic chemistry notation.

Not exact matches

These changes also change the structures of power in our society, so that, for example, literate people who know how to access electronic information will have increased power over literate people who don't.

The creation of global electronic networks, for example, is largely facilitated through the privatization of public telecommunication services, the liberalization of electronics markets, and the deregulation of tariff structures.

We should commend the electronic church for its venturesome outreach to parched multitudes thirsting for what activists readily overlook in their assault on social structures — namely, a personal faith.

«The electronic structure of a molecule determines the quantum probability for electrons to flow through the nano - device,» says Reddy.

Lanthanides are a group of metals whose special electronic structure makes them attractive for use in optoelectronic applications.

Extracted data from electronic medical records (EMRs) structured for individual patient records, not for research

The unique geometric and electronic structure of the nitrogenated crystals make it potentially suitable for use in electronics, sensors and catalysis.

A water - splitting photocatalyst that is operable at up to 600nm has been developed for the first time, using a transition - metal oxynitride whose electronic structure is suitable for long wavelength absorption.

In this research, a water - splitting photocatalyst that is operable at up to 600nm was developed for the first time, using a transition - metal oxynitride whose electronic structure is suitable for long wavelength absorption.

For the first time, they managed to control the shape of the laser pulse to keep an electron both free and bound to its nucleus, and were at the same time able to regulate the electronic structure of this atom dressed by the laser.

Designing materials for use in the large variety of gadgets and structures that support our everyday lives involves understanding them at their atomic, electronic and macroscopic scales.

Her lab later came up with structures for penicillin, which influenced the development of antibiotics, and for vitamin B - 12, which her group determined with the aid of one of the first electronic computers.

«This should help us to create new engineered nanostructures, such as bonded networks of atoms that have a particular shape and structure for use in electronic devices.

A new, freely accessible database of organic and organometallic materials» electronic structures is now available online for research with quantum materials.

Published by the Condensed Matter research group at the Nordic Institute for Theoretical Physics (NORDITA) at KTH Royal Institute of Technology in Sweden, the Organic Materials Database is intended as a data mining resource for research into the electric and magnetic properties of crystals, which are primarily defined by their electronic band structure — an energy spectrum of electrons motion which stem from their quantum - mechanical properties.

ORNL's Xiahan Sang unambiguously resolved the atomic structure of MXene, a 2D material promising for energy storage, catalysis and electronic conductivity.

The OMDB web interface allows users to search for materials with specified target properties using non-trivial queries about their electronic structure, including advanced tools for pattern recognition, chemical and physical properties search.

«The unique electronic structure of graphene along with its particular surface topography make it an ideal substrate for decoration with gold nanoparticles.

These contributions «represent a significant step forward in structure - function relationships in organic semiconductors, critical for the development of the next generation of flexible electronic devices,» the authors point out.

A patent is pending for the method, which is particularly suitable for measuring rough surfaces, for example those of semiconductor structures for electronic devices or folded biomolecules.

Doron Shabat and colleagues proposed that by tweaking the electronic structure of current probes to improve their inherent fluorescence, they could create a new single - component emission system that would work for many applications.

The Fermi - Hubbard model was developed by Philip Anderson, Princeton's Joseph Henry Professor of Physics, Emeritus, who won a Nobel Prize in Physics in 1977 for his work on theoretical investigations of electronic structure of magnetic and disordered systems.

Now, physicists at HZB's Institute for Silicon Photovoltaics have figured out a rather clever way for detecting the remaining defects and characterizing their electronic structure.

The research «represents a benchmark contribution» to the development of liquid - cooled computers and will pave the way for new materials applications created by ultrafast lasers, says physicist Costas Fotakis, director of the Institute of Electronic Structure and Laser in Heraklion, Greece.

This new class of superlattice structures has tailorable electronic properties for potential technological applications and further scientific studies.»

The researchers developed multiple techniques for creating these structures, which can be used to connect electronic components in three dimensions.

This so - called beta - GeSe compound has a ring type structure like graphene and its monolayer form could have similarly valuable properties for electronic applications, according to the study published in the Journal of the American Chemical Society.

an electronic structure program package that is a flexible, efficient, and easy - to - use general purpose tool for quantum chemistry with sp...

A. Arko received the title of Laboratory Fellow in recognition for pioneering an entirely new means for studying the electronic structure of plutonium, developing the Laser Plasma Light Source, and his landmark achievements in the field of high - temperature superconductivity.

The latest breakthrough in superconductors, which will be published March 20 in Science, answers a key question on the microscopic electronic structure of cuprate superconductors, the most celebrated material family in our quest for true room - temperature superconductivity.

11:10 Benjamin Stamm: Recent Progress in the DomainDecomposition Paradigm for Implicit Solvation Models 11:50 Jaydeep Bardhan: Improving the accuracy ofcontinuum solvent models using the solvation - layer interface condition (SLIC) 12:10 Giuseppe Fisicaro: Soft - sphere continuum solvation in electronic structure calculations 12:30 Monica Bugeanu: Molecular cavity generation for quadrangular patches

To provide the basis for predicting and optimizing the complex interplay of materials and geometric effects in plasmon decay - induced excited carrier phenomena, we combined \ emph -LCB- ab initio -RCB- electronic structure calculations, electromagnetic simulations and Boltzmann transport models.

An integrated suite of Open - Source computer codes for electronic - structure calculations and materials modeling at the nanoscale, based on density - functional theory, plane waves, and pseudopotentials.

Employing a strategic combination of detailed electronic structure calculations, combinatorial materials synthesis, and both traditional and high - throughout photoelectrochemistry measurements, the JCAP team identified earth - abundant copper and manganese vanadate complex oxides that meet highly demanding requirements for photoanodes: low band gap energy, stability under highly oxidizing conditions, and valence band alignment with respect to OER.

For more than 20 years he has been a lead developer of the PSI quantum chemistry package, which was one of the first electronic structure packages to be distributed under a fully open - source license and is used by thousands of molecular scientists worldwide.

Electronic structure codes take atomic and chemical structure and solve for the corresponding magnetic properties.

A strategy for assembly of electronic systems — especially the flexible structures needed for high - performance devices of the future — uses integrated circuits as Lego - like building blocks.

A team of scientists from ETH Zurich in Switzerland and the Max Planck Institute for the Structure and Dynamics of Matter (MPSD) in Hamburg have, for the first time, unraveled the electronic dynamical processes that occur upon excitation of electrons in gallium arsenide at the attosecond timescale.

Fellow, American Association for the Advancement of Science, Chemistry Division, for innovations in synchrotron radiation spectroscopy research in revealing electronic and atomic structure of new materials; and strategic leadership in the field of chemical imaging, 2015

The ILL neutron scattering facilities provide an indispensable analytical tool for the analysis of the structure of novel conducting and magnetic materials for future electronic devices, the measurement of stresses in mechanical materials, and investigations into how complex molecular assemblies behave, particularly in a biological environment.

The journal also focuses on the technological aspects of pathology, including molecular biology techniques, morphometry aspects (stereology, DNA analysis, syntactic structure analysis), communication aspects (telecommunication, virtual microscopy, virtual pathology institutions, etc.), and electronic education and quality assurance (for example interactive publication, on - line references with automated updating, etc.).

Dr. Martin Head - Gordon is an electronic structure theorist who is known for development of linear scaling methods for performing density functional theory calculations, for new methods for calculating electronic excited states, and for advances in electron correlation methods, including the development of widely used density functionals and many - electron wavefunction theory.

Sotiris is known in the chemical physics community for his research on intermolecular interactions in aqueous ionic clusters and the use of ab - initio electronic structure calculations to elucidate their structural and spectral features and the development of interaction potentials for water.

Given the growing interest in standards - based education, teaching standards provide an ideal structure for electronic teaching portfolios, while allowing a great deal of flexibility.

Although the structure was purposefully left open for this exploration, it seems reasonable that creating more specific guidelines might indeed be helpful for first - year teachers who are beginning to create an electronic portfolio, consistent with findings from Wade and Yarbrough (1996).

Our proven approach to structured supports for college students includes face - to - face, peer mentoring and lots of electronic interactions throughout each semester.

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