Spartan (chemistry software)Spartan is a molecular modelling and computational chemistry application from Wavefunction. It contains code for molecular mechanics, semi-empirical methods, ab initio models, density functional models, post-Hartree–Fock models, and thermochemical recipes including G3(MP2) and T1. Quantum chemistry calculations in Spartan are powered by Q-Chem. Primary functions are to supply information about structures, relative stabilities and other properties of isolated molecules.
Ventricular septal defectA ventricular septal defect (VSD) is a defect in the ventricular septum, the wall dividing the left and right ventricles of the heart. The extent of the opening may vary from pin size to complete absence of the ventricular septum, creating one common ventricle. The ventricular septum consists of an inferior muscular and superior membranous portion and is extensively innervated with conducting cardiomyocytes. The membranous portion, which is close to the atrioventricular node, is most commonly affected in adults and older children in the United States.
Amorphous solidIn condensed matter physics and materials science, an amorphous solid (or non-crystalline solid) is a solid that lacks the long-range order that is characteristic of a crystal. The terms "glass" and "glassy solid" are sometimes used synonymously with amorphous solid; however, these terms refer specifically to amorphous materials that undergo a glass transition. Examples of amorphous solids include glasses, metallic glasses, and certain types of plastics and polymers. The term comes from the Greek a ("without"), and morphé ("shape, form").
Molecular orbital theoryIn chemistry, molecular orbital theory (MO theory or MOT) is a method for describing the electronic structure of molecules using quantum mechanics. It was proposed early in the 20th century. In molecular orbital theory, electrons in a molecule are not assigned to individual chemical bonds between atoms, but are treated as moving under the influence of the atomic nuclei in the whole molecule. Quantum mechanics describes the spatial and energetic properties of electrons as molecular orbitals that surround two or more atoms in a molecule and contain valence electrons between atoms.
Microscopic scaleThe microscopic scale () is the scale of objects and events smaller than those that can easily be seen by the naked eye, requiring a lens or microscope to see them clearly. In physics, the microscopic scale is sometimes regarded as the scale between the macroscopic scale and the quantum scale. Microscopic units and measurements are used to classify and describe very small objects. One common microscopic length scale unit is the micrometre (also called a micron) (symbol: μm), which is one millionth of a metre.
Wannier functionThe Wannier functions are a complete set of orthogonal functions used in solid-state physics. They were introduced by Gregory Wannier in 1937. Wannier functions are the localized molecular orbitals of crystalline systems. The Wannier functions for different lattice sites in a crystal are orthogonal, allowing a convenient basis for the expansion of electron states in certain regimes. Wannier functions have found widespread use, for example, in the analysis of binding forces acting on electrons; the existence of exponentially localized Wannier functions in insulators was proved in 2006.
Resonance (chemistry)In chemistry, resonance, also called mesomerism, is a way of describing bonding in certain molecules or polyatomic ions by the combination of several contributing structures (or forms, also variously known as resonance structures or canonical structures) into a resonance hybrid (or hybrid structure) in valence bond theory. It has particular value for analyzing delocalized electrons where the bonding cannot be expressed by one single Lewis structure.
Acyanotic heart defectAn acyanotic heart defect, is a class of congenital heart defects. In these, blood is shunted (flows) from the left side of the heart to the right side of the heart, most often due to a structural defect (hole) in the interventricular septum. People often retain normal levels of oxyhemoglobin saturation in systemic circulation. This term is outdated, because a person with an acyanotic heart defect may show cyanosis (turn blue due to insufficient oxygen in the blood).
Crystalline siliconCrystalline silicon or (c-Si) Is the crystalline forms of silicon, either polycrystalline silicon (poly-Si, consisting of small crystals), or monocrystalline silicon (mono-Si, a continuous crystal). Crystalline silicon is the dominant semiconducting material used in photovoltaic technology for the production of solar cells. These cells are assembled into solar panels as part of a photovoltaic system to generate solar power from sunlight. In electronics, crystalline silicon is typically the monocrystalline form of silicon, and is used for producing microchips.
Atrial septal defectAtrial septal defect (ASD) is a congenital heart defect in which blood flows between the atria (upper chambers) of the heart. Some flow is a normal condition both pre-birth and immediately post-birth via the foramen ovale; however, when this does not naturally close after birth it is referred to as a patent (open) foramen ovale (PFO). It is common in patients with a congenital atrial septal aneurysm (ASA). After PFO closure the atria normally are separated by a dividing wall, the interatrial septum.
