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Mulliken charges arise from the Mulliken population analysis and provide a means of estimating partial atomic charges from calculations carried out by the methods of computational chemistry, particularly those based on the linear combination of atomic orbitals molecular orbital method, and are routinely used as variables in linear regression (QSAR) procedures.
Number density. The number density (symbol: n or ρN) is an intensive quantity used to describe the degree of concentration of countable objects ( particles, molecules, phonons, cells, galaxies, etc.) in physical space: three-dimensional volumetric number density, two-dimensional areal number density, or one-dimensional linear number density.
Population balance equation. Population balance equations (PBEs) have been introduced in several branches of modern science, mainly in Chemical Engineering, [1] to describe the evolution of a population of particles. This includes topics like crystallization, [2] leaching (metallurgy), [3] [4] liquid–liquid extraction, gas-liquid dispersions ...
Population density is the number of people per unit of area, usually transcribed as "per square kilometer" or square mile, and which may include or exclude, for example, areas of water or glaciers. Commonly this is calculated for a county, city, country, another territory or the entire world . The world's population is around 8,000,000,000 [3 ...
v. t. e. In quantum mechanics, a density matrix (or density operator) is a matrix that describes the quantum state of a physical system. It allows for the calculation of the probabilities of the outcomes of any measurement performed upon this system, using the Born rule. It is a generalization of the more usual state vectors or wavefunctions ...
For example, if the initial population of the assembly, N(0), is 1000, then the population at time , (), is 368. A very similar equation will be seen below, which arises when the base of the exponential is chosen to be 2, rather than e. In that case the scaling time is the "half-life".
t. e. Maxwell–Boltzmann statistics can be used to derive the Maxwell–Boltzmann distribution of particle speeds in an ideal gas. Shown: distribution of speeds for 10 6 oxygen molecules at -100, 20, and 600 °C. In statistical mechanics, Maxwell–Boltzmann statistics describes the distribution of classical material particles over various ...
Master equation. In physics, chemistry, and related fields, master equations are used to describe the time evolution of a system that can be modeled as being in a probabilistic combination of states at any given time, and the switching between states is determined by a transition rate matrix. The equations are a set of differential equations ...