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ToFeT is a kinetic Monte Carlo electronic model of molecular films, able to simulate the time-of-flight experiment (ToF), field-effect transistors (FeTs). As its input, ToFeT takes a description of the film at a molecular level: a description of the position of all molecules and the interactions between them. As its output, ToFeT produces electrical characteristics such as mobilities, JV curves, and transient photocurrents. ToFeT thus allows the microscopic properties of a film to be related to its macroscopic electronic properties.

ToFeT is an open-source project, used by academic and industrial groups around the world. The current focus in ToFeT's development is to treat a wider range of materials systems, and reproduce a wider range of experimental measurements.

In Hebrew, the word "Tofet" stands for "inferno, scene of horror; hell", [1] thus providing a fitting indication to the complexity of the module.

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Computational chemistry is a branch of chemistry that uses computer simulation to assist in solving chemical problems. It uses methods of theoretical chemistry, incorporated into computer programs, to calculate the structures and properties of molecules, groups of molecules, and solids. It is essential because, apart from relatively recent results concerning the hydrogen molecular ion, the quantum many-body problem cannot be solved analytically, much less in closed form. While computational results normally complement the information obtained by chemical experiments, it can in some cases predict hitherto unobserved chemical phenomena. It is widely used in the design of new drugs and materials.

<span class="mw-page-title-main">Covalent bond</span> Chemical bond that involves the sharing of electron pairs between atoms

A covalent bond is a chemical bond that involves the sharing of electrons to form electron pairs between atoms. These electron pairs are known as shared pairs or bonding pairs. The stable balance of attractive and repulsive forces between atoms, when they share electrons, is known as covalent bonding. For many molecules, the sharing of electrons allows each atom to attain the equivalent of a full valence shell, corresponding to a stable electronic configuration. In organic chemistry, covalent bonding is much more common than ionic bonding.

<span class="mw-page-title-main">Coordination complex</span> Molecule or ion containing ligands datively bonded to a central metallic atom

A coordination complex is a chemical compound consisting of a central atom or ion, which is usually metallic and is called the coordination centre, and a surrounding array of bound molecules or ions, that are in turn known as ligands or complexing agents. Many metal-containing compounds, especially those that include transition metals, are coordination complexes.

<span class="mw-page-title-main">Inorganic chemistry</span> Field of chemistry

Inorganic chemistry deals with synthesis and behavior of inorganic and organometallic compounds. This field covers chemical compounds that are not carbon-based, which are the subjects of organic chemistry. The distinction between the two disciplines is far from absolute, as there is much overlap in the subdiscipline of organometallic chemistry. It has applications in every aspect of the chemical industry, including catalysis, materials science, pigments, surfactants, coatings, medications, fuels, and agriculture.

<span class="mw-page-title-main">Nanotechnology</span> Field of applied science involving control of matter on atomic and (supra)molecular scales

Nanotechnology, often shortened to nanotech, is the use of matter on atomic, molecular, and supramolecular scales for industrial purposes. The earliest, widespread description of nanotechnology referred to the particular technological goal of precisely manipulating atoms and molecules for fabrication of macroscale products, also now referred to as molecular nanotechnology. A more generalized description of nanotechnology was subsequently established by the National Nanotechnology Initiative, which defined nanotechnology as the manipulation of matter with at least one dimension sized from 1 to 100 nanometers (nm). This definition reflects the fact that quantum mechanical effects are important at this quantum-realm scale, and so the definition shifted from a particular technological goal to a research category inclusive of all types of research and technologies that deal with the special properties of matter which occur below the given size threshold. It is therefore common to see the plural form "nanotechnologies" as well as "nanoscale technologies" to refer to the broad range of research and applications whose common trait is size.

<span class="mw-page-title-main">Electronic warfare support measures</span>

In military telecommunications, electronic support (ES) or electronic support measures (ESM) gather intelligence through passive "listening" to electromagnetic radiations of military interest. They are an aspect of electronic warfare involving actions taken under direct control of an operational commander to detect, intercept, identify, locate, record, and/or analyze sources of radiated electromagnetic energy for the purposes of immediate threat recognition or longer-term operational planning. Thus, electronic support provides a source of information required for decisions involving electronic protection (EP), electronic attack (EA), avoidance, targeting, and other tactical employment of forces. Electronic support data can be used to produce signals intelligence (SIGINT), communications intelligence (COMINT) and electronics intelligence (ELINT).

<span class="mw-page-title-main">Electromagnetic warfare</span> Combat involving electronics and directed energy

Electromagnetic warfare or electronic warfare (EW) is warfare involving the use of the electromagnetic spectrum or directed energy to control the spectrum, attack an enemy, or impede enemy operations. The purpose of electromagnetic warfare is to deny the opponent the advantage of—and ensure friendly unimpeded access to—the EM spectrum. Electromagnetic warfare can be applied from air, sea, land, or space by crewed and uncrewed systems, and can target communication, radar, or other military and civilian assets.

In chemistry, the molar mass of a chemical compound is defined as the ratio between the mass and the amount of substance of any sample of said compound. The molar mass is a bulk, not molecular, property of a substance. The molar mass is an average of many instances of the compound, which often vary in mass due to the presence of isotopes. Most commonly, the molar mass is computed from the standard atomic weights and is thus a terrestrial average and a function of the relative abundance of the isotopes of the constituent atoms on Earth. The molar mass is appropriate for converting between the mass of a substance and the amount of a substance for bulk quantities.

<span class="mw-page-title-main">Electronic Arts</span> American video game company

Electronic Arts Inc. (EA) is an American video game company headquartered in Redwood City, California. Founded in May 1982 by Apple employee Trip Hawkins, the company was a pioneer of the early home computer game industry and promoted the designers and programmers responsible for its games as "software artists". EA published numerous games and some productivity software for personal computers, all of which were developed by external individuals or groups until 1987's Skate or Die!. The company shifted toward internal game studios, often through acquisitions, such as Distinctive Software becoming EA Canada in 1991.

<span class="mw-page-title-main">Molecular mechanics</span> Use of classical mechanics to model molecular systems

Molecular mechanics uses classical mechanics to model molecular systems. The Born–Oppenheimer approximation is assumed valid and the potential energy of all systems is calculated as a function of the nuclear coordinates using force fields. Molecular mechanics can be used to study molecule systems ranging in size and complexity from small to large biological systems or material assemblies with many thousands to millions of atoms.

<span class="mw-page-title-main">Molecular physics</span> Study of the physical and chemical properties of molecules

Molecular physics is the study of the physical properties of molecules and molecular dynamics. The field overlaps significantly with physical chemistry, chemical physics, and quantum chemistry. It is often considered as a sub-field of atomic, molecular, and optical physics. Research groups studying molecular physics are typically designated as one of these other fields. Molecular physics addresses phenomena due to both molecular structure and individual atomic processes within molecules. Like atomic physics, it relies on a combination of classical and quantum mechanics to describe interactions between electromagnetic radiation and matter. Experiments in the field often rely heavily on techniques borrowed from atomic physics, such as spectroscopy and scattering.

Iron–sulfur proteins are proteins characterized by the presence of iron–sulfur clusters containing sulfide-linked di-, tri-, and tetrairon centers in variable oxidation states. Iron–sulfur clusters are found in a variety of metalloproteins, such as the ferredoxins, as well as NADH dehydrogenase, hydrogenases, coenzyme Q – cytochrome c reductase, succinate – coenzyme Q reductase and nitrogenase. Iron–sulfur clusters are best known for their role in the oxidation-reduction reactions of electron transport in mitochondria and chloroplasts. Both Complex I and Complex II of oxidative phosphorylation have multiple Fe–S clusters. They have many other functions including catalysis as illustrated by aconitase, generation of radicals as illustrated by SAM-dependent enzymes, and as sulfur donors in the biosynthesis of lipoic acid and biotin. Additionally, some Fe–S proteins regulate gene expression. Fe–S proteins are vulnerable to attack by biogenic nitric oxide, forming dinitrosyl iron complexes. In most Fe–S proteins, the terminal ligands on Fe are thiolate, but exceptions exist.

<span class="mw-page-title-main">Non-stoichiometric compound</span> Chemical compounds that cannot be represented by an empirical formula

Non-stoichiometric compounds are chemical compounds, almost always solid inorganic compounds, having elemental composition whose proportions cannot be represented by a ratio of small natural numbers ; most often, in such materials, some small percentage of atoms are missing or too many atoms are packed into an otherwise perfect lattice work.

<span class="mw-page-title-main">Metal nitrosyl complex</span> Complex of a transition metal bonded to nitric oxide: Me–NO

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Car–Parrinello molecular dynamics or CPMD refers to either a method used in molecular dynamics or the computational chemistry software package used to implement this method.

Bismuth ferrite (BiFeO3, also commonly referred to as BFO in materials science) is an inorganic chemical compound with perovskite structure and one of the most promising multiferroic materials. The room-temperature phase of BiFeO3 is classed as rhombohedral belonging to the space group R3c. It is synthesized in bulk and thin film form and both its antiferromagnetic (G type ordering) Néel temperature (approximately 653 K) and ferroelectric Curie temperature are well above room temperature (approximately 1100K). Ferroelectric polarization occurs along the pseudocubic direction () with a magnitude of 90–95 μC/cm2.

<span class="mw-page-title-main">Ion</span> Particle, atom or molecule with a net electrical charge

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In materials science, the threshold displacement energy is the minimum kinetic energy that an atom in a solid needs to be permanently displaced from its site in the lattice to a defect position. It is also known as "displacement threshold energy" or just "displacement energy". In a crystal, a separate threshold displacement energy exists for each crystallographic direction. Then one should distinguish between the minimum and average over all lattice directions' threshold displacement energies. In amorphous solids, it may be possible to define an effective displacement energy to describe some other average quantity of interest. Threshold displacement energies in typical solids are of the order of 10-50 eV.

<i>Fe</i> (video game) 2018 video game

Fe is a platform-adventure game developed by Zoink and published by Electronic Arts under its EA Originals program. It was released on February 16, 2018 for Microsoft Windows, Nintendo Switch, PlayStation 4 and Xbox One. In it, the player controls Fe, a fox-like creature in a forest setting, attempting to defend it from hostile entities called the Silent Ones, gaining help from other forest creatures by guiding them to complete tasks and learning new abilities from those it helps.