Octahedral molecular geometryIn chemistry, octahedral molecular geometry, also called square bipyramidal, describes the shape of compounds with six atoms or groups of atoms or ligands symmetrically arranged around a central atom, defining the vertices of an octahedron. The octahedron has eight faces, hence the prefix octa. The octahedron is one of the Platonic solids, although octahedral molecules typically have an atom in their centre and no bonds between the ligand atoms. A perfect octahedron belongs to the point group Oh.
Ab initio quantum chemistry methodsAb initio quantum chemistry methods are computational chemistry methods based on quantum chemistry. The term ab initio was first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene. The background is described by Parr. Ab initio means "from first principles" or "from the beginning", implying that the only inputs into an ab initio calculation are physical constants.
Computer animationComputer animation is the process used for digitally generating animations. The more general term (CGI) encompasses both static scenes (s) and dynamic images (s), while computer animation refers to moving images. Modern computer animation usually uses 3D computer graphics to generate a three-dimensional picture. The target of the animation is sometimes the computer itself, while other times it is film. Computer animation is essentially a digital successor to stop motion techniques, but using 3D models, and traditional animation techniques using frame-by-frame animation of 2D illustrations.
Graphics cardA graphics card (also called a video card, display card, graphics adapter, VGA card/VGA, video adapter, display adapter, or colloquially GPU) is a computer expansion card that generates a feed of graphics output to a display device such as a monitor. Graphics cards are sometimes called discrete or dedicated graphics cards to emphasize their distinction to integrated graphics processor on the motherboard or the CPU.
3D scanning3D scanner is the process of analyzing a real-world object or environment to collect three dimensional data of its shape and possibly its appearance (e.g. color). The collected data can then be used to construct digital 3D models. A 3D scanner can be based on many different technologies, each with its own limitations, advantages and costs. Many limitations in the kind of objects that can be digitised are still present. For example, optical technology may encounter many difficulties with dark, shiny, reflective or transparent objects.
Spiro compoundIn organic chemistry, spiro compounds are compounds that have at least two molecular rings with only one common atom. The simplest spiro compounds are bicyclic (having just two rings), or have a bicyclic portion as part of the larger ring system, in either case with the two rings connected through the defining single common atom.
Input/outputIn computing, input/output (I/O, i/o, or informally io or IO) is the communication between an information processing system, such as a computer, and the outside world, possibly a human or another information processing system. Inputs are the signals or data received by the system and outputs are the signals or data sent from it. The term can also be used as part of an action; to "perform I/O" is to perform an input or output operation. are the pieces of hardware used by a human (or other system) to communicate with a computer.
Application softwareAn application program (software application, or application, or app for short) is a computer program designed to carry out a specific task other than one relating to the operation of the computer itself, typically to be used by end-users. Word processors, media players, and accounting software are examples. The collective noun "application software" refers to all applications collectively. The other principal classifications of software are system software, relating to the operation of the computer, and utility software ("utilities").
Computational chemistryComputational 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 (dihydrogen cation, see references therein for more details), the quantum many-body problem cannot be solved analytically, much less in closed form.
Quantum numberIn quantum physics and chemistry, quantum numbers describe values of conserved quantities in the dynamics of a quantum system. Quantum numbers correspond to eigenvalues of operators that commute with the Hamiltonian—quantities that can be known with precision at the same time as the system's energy—and their corresponding eigenspaces. Together, a specification of all of the quantum numbers of a quantum system fully characterize a basis state of the system, and can in principle be measured together.
