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.
Dynamical billiardsA dynamical billiard is a dynamical system in which a particle alternates between free motion (typically as a straight line) and specular reflections from a boundary. When the particle hits the boundary it reflects from it without loss of speed (i.e. elastic collisions). Billiards are Hamiltonian idealizations of the game of billiards, but where the region contained by the boundary can have shapes other than rectangular and even be multidimensional.
Heat capacity ratioIn thermal physics and thermodynamics, the heat capacity ratio, also known as the adiabatic index, the ratio of specific heats, or Laplace's coefficient, is the ratio of the heat capacity at constant pressure (CP) to heat capacity at constant volume (CV). It is sometimes also known as the isentropic expansion factor and is denoted by γ (gamma) for an ideal gas or κ (kappa), the isentropic exponent for a real gas. The symbol γ is used by aerospace and chemical engineers.
Adiabatic processIn thermodynamics, an adiabatic process (Greek: adiábatos, "impassable") is a type of thermodynamic process that occurs without transferring heat or mass between the thermodynamic system and its environment. Unlike an isothermal process, an adiabatic process transfers energy to the surroundings only as work. As a key concept in thermodynamics, the adiabatic process supports the theory that explains the first law of thermodynamics. Some chemical and physical processes occur too rapidly for energy to enter or leave the system as heat, allowing a convenient "adiabatic approximation".
Hidden attractorIn the bifurcation theory, a bounded oscillation that is born without loss of stability of stationary set is called a hidden oscillation. In nonlinear control theory, the birth of a hidden oscillation in a time-invariant control system with bounded states means crossing a boundary, in the domain of the parameters, where local stability of the stationary states implies global stability (see, e.g. Kalman's conjecture).
Measure-preserving dynamical systemIn mathematics, a measure-preserving dynamical system is an object of study in the abstract formulation of dynamical systems, and ergodic theory in particular. Measure-preserving systems obey the Poincaré recurrence theorem, and are a special case of conservative systems. They provide the formal, mathematical basis for a broad range of physical systems, and, in particular, many systems from classical mechanics (in particular, most non-dissipative systems) as well as systems in thermodynamic equilibrium.
Coupling constantIn physics, a coupling constant or gauge coupling parameter (or, more simply, a coupling), is a number that determines the strength of the force exerted in an interaction. Originally, the coupling constant related the force acting between two static bodies to the "charges" of the bodies (i.e. the electric charge for electrostatic and the mass for Newtonian gravity) divided by the distance squared, , between the bodies; thus: in for Newtonian gravity and in for electrostatic.
Fundamental interactionIn physics, the fundamental interactions or fundamental forces are the interactions that do not appear to be reducible to more basic interactions. There are four fundamental interactions known to exist: gravity electromagnetism weak interaction strong interaction The gravitational and electromagnetic interactions produce long-range forces whose effects can be seen directly in everyday life. The strong and weak interactions produce forces at minuscule, subatomic distances and govern nuclear interactions inside atoms.
Transition state theoryIn chemistry, transition state theory (TST) explains the reaction rates of elementary chemical reactions. The theory assumes a special type of chemical equilibrium (quasi-equilibrium) between reactants and activated transition state complexes. TST is used primarily to understand qualitatively how chemical reactions take place.
Protocarnivorous plantA protocarnivorous plant (sometimes also paracarnivorous, subcarnivorous, or borderline carnivore), according to some definitions, traps and kills insects or other animals but lacks the ability to either directly digest or absorb nutrients from its prey like a carnivorous plant. The morphological adaptations such as sticky trichomes or pitfall traps of protocarnivorous plants parallel the trap structures of confirmed carnivorous plants.
