Publication
Geometries and vibrational frequencies of small radicals: Performance of Coupled Cluster and more approximate methods
Related concepts (32)
Molecular geometry
Molecular geometry is the three-dimensional arrangement of the atoms that constitute a molecule. It includes the general shape of the molecule as well as bond lengths, bond angles, torsional angles and any other geometrical parameters that determine the position of each atom. Molecular geometry influences several properties of a substance including its reactivity, polarity, phase of matter, color, magnetism and biological activity. The angles between bonds that an atom forms depend only weakly on the rest of molecule, i.
Diatom
A diatom (Neo-Latin diatoma) is any member of a large group comprising several genera of algae, specifically microalgae, found in the oceans, waterways and soils of the world. Living diatoms make up a significant portion of the Earth's biomass: they generate about 20 to 50 percent of the oxygen produced on the planet each year, take in over 6.7 billion tonnes of silicon each year from the waters in which they live, and constitute nearly half of the organic material found in the oceans.
Vibration isolation
Vibration isolation is the process of isolating an object, such as a piece of equipment, from the source of vibrations. Vibration is undesirable in many domains, primarily engineered systems and habitable spaces, and methods have been developed to prevent the transfer of vibration to such systems. Vibrations propagate via mechanical waves and certain mechanical linkages conduct vibrations more efficiently than others. Passive vibration isolation makes use of materials and mechanical linkages that absorb and damp these mechanical waves.
Harmonic series (music)
A harmonic series (also overtone series) is the sequence of harmonics, musical tones, or pure tones whose frequency is an integer multiple of a fundamental frequency. Pitched musical instruments are often based on an acoustic resonator such as a string or a column of air, which oscillates at numerous modes simultaneously. At the frequencies of each vibrating mode, waves travel in both directions along the string or air column, reinforcing and canceling each other to form standing waves.
Frame of reference
In physics and astronomy, a frame of reference (or reference frame) is an abstract coordinate system whose origin, orientation, and scale are specified by a set of reference points―geometric points whose position is identified both mathematically (with numerical coordinate values) and physically (signaled by conventional markers). For n dimensions, n + 1 reference points are sufficient to fully define a reference frame.
Marine microorganisms
Marine microorganisms are defined by their habitat as microorganisms living in a marine environment, that is, in the saltwater of a sea or ocean or the brackish water of a coastal estuary. A microorganism (or microbe) is any microscopic living organism or virus, that is too small to see with the unaided human eye without magnification. Microorganisms are very diverse. They can be single-celled or multicellular and include bacteria, archaea, viruses and most protozoa, as well as some fungi, algae, and animals, such as rotifers and copepods.
Quality management
Quality management ensures that an organization, product or service consistently functions well. It has four main components: quality planning, quality assurance, quality control and quality improvement. Quality management is focused not only on product and service quality, but also on the means to achieve it. Quality management, therefore, uses quality assurance and control of processes as well as products to achieve more consistent quality. Quality control is also part of quality management.
General equilibrium theory
In economics, general equilibrium theory attempts to explain the behavior of supply, demand, and prices in a whole economy with several or many interacting markets, by seeking to prove that the interaction of demand and supply will result in an overall general equilibrium. General equilibrium theory contrasts with the theory of partial equilibrium, which analyzes a specific part of an economy while its other factors are held constant.
Pythagorean triple
A Pythagorean triple consists of three positive integers a, b, and c, such that a^2 + b^2 = c^2. Such a triple is commonly written (a, b, c), and a well-known example is (3, 4, 5). If (a, b, c) is a Pythagorean triple, then so is (ka, kb, kc) for any positive integer k. A primitive Pythagorean triple is one in which a, b and c are coprime (that is, they have no common divisor larger than 1). For example, (3, 4, 5) is a primitive Pythagorean triple whereas (6, 8, 10) is not.
Marginal cost
In economics, the marginal cost is the change in the total cost that arises when the quantity produced is incremented, the cost of producing additional quantity. In some contexts, it refers to an increment of one unit of output, and in others it refers to the rate of change of total cost as output is increased by an infinitesimal amount. As Figure 1 shows, the marginal cost is measured in dollars per unit, whereas total cost is in dollars, and the marginal cost is the slope of the total cost, the rate at which it increases with output.