Rotational–vibrational spectroscopyRotational–vibrational spectroscopy is a branch of molecular spectroscopy concerned with infrared and Raman spectra of molecules in the gas phase. Transitions involving changes in both vibrational and rotational states can be abbreviated as rovibrational (or ro-vibrational) transitions. When such transitions emit or absorb photons (electromagnetic radiation), the frequency is proportional to the difference in energy levels and can be detected by certain kinds of spectroscopy.
Raman spectroscopyRaman spectroscopy (ˈrɑːmən) (named after Indian physicist C. V. Raman) is a spectroscopic technique typically used to determine vibrational modes of molecules, although rotational and other low-frequency modes of systems may also be observed. Raman spectroscopy is commonly used in chemistry to provide a structural fingerprint by which molecules can be identified. Raman spectroscopy relies upon inelastic scattering of photons, known as Raman scattering.
Rotational spectroscopyRotational spectroscopy is concerned with the measurement of the energies of transitions between quantized rotational states of molecules in the gas phase. The spectra of polar molecules can be measured in absorption or emission by microwave spectroscopy or by far infrared spectroscopy. The rotational spectra of non-polar molecules cannot be observed by those methods, but can be observed and measured by Raman spectroscopy.
Cross-correlationIn signal processing, cross-correlation is a measure of similarity of two series as a function of the displacement of one relative to the other. This is also known as a sliding dot product or sliding inner-product. It is commonly used for searching a long signal for a shorter, known feature. It has applications in pattern recognition, single particle analysis, electron tomography, averaging, cryptanalysis, and neurophysiology. The cross-correlation is similar in nature to the convolution of two functions.
CorrelationIn statistics, correlation or dependence is any statistical relationship, whether causal or not, between two random variables or bivariate data. Although in the broadest sense, "correlation" may indicate any type of association, in statistics it usually refers to the degree to which a pair of variables are linearly related. Familiar examples of dependent phenomena include the correlation between the height of parents and their offspring, and the correlation between the price of a good and the quantity the consumers are willing to purchase, as it is depicted in the so-called demand curve.
Scalar curvatureIn the mathematical field of Riemannian geometry, the scalar curvature (or the Ricci scalar) is a measure of the curvature of a Riemannian manifold. To each point on a Riemannian manifold, it assigns a single real number determined by the geometry of the metric near that point. It is defined by a complicated explicit formula in terms of partial derivatives of the metric components, although it is also characterized by the volume of infinitesimally small geodesic balls.
Pearson correlation coefficientIn statistics, the Pearson correlation coefficient (PCC) is a correlation coefficient that measures linear correlation between two sets of data. It is the ratio between the covariance of two variables and the product of their standard deviations; thus, it is essentially a normalized measurement of the covariance, such that the result always has a value between −1 and 1. As with covariance itself, the measure can only reflect a linear correlation of variables, and ignores many other types of relationships or correlations.
AutocorrelationAutocorrelation, sometimes known as serial correlation in the discrete time case, is the correlation of a signal with a delayed copy of itself as a function of delay. Informally, it is the similarity between observations of a random variable as a function of the time lag between them. The analysis of autocorrelation is a mathematical tool for finding repeating patterns, such as the presence of a periodic signal obscured by noise, or identifying the missing fundamental frequency in a signal implied by its harmonic frequencies.
Molecular vibrationA molecular vibration is a periodic motion of the atoms of a molecule relative to each other, such that the center of mass of the molecule remains unchanged. The typical vibrational frequencies range from less than 1013 Hz to approximately 1014 Hz, corresponding to wavenumbers of approximately 300 to 3000 cm−1 and wavelengths of approximately 30 to 3 μm. For a diatomic molecule A−B, the vibrational frequency in s−1 is given by , where k is the force constant in dyne/cm or erg/cm2 and μ is the reduced mass given by .
Normal modeA normal mode of a dynamical system is a pattern of motion in which all parts of the system move sinusoidally with the same frequency and with a fixed phase relation. The free motion described by the normal modes takes place at fixed frequencies. These fixed frequencies of the normal modes of a system are known as its natural frequencies or resonant frequencies. A physical object, such as a building, bridge, or molecule, has a set of normal modes and their natural frequencies that depend on its structure, materials and boundary conditions.
TetrahedronIn geometry, a tetrahedron (plural: tetrahedra or tetrahedrons), also known as a triangular pyramid, is a polyhedron composed of four triangular faces, six straight edges, and four vertex corners. The tetrahedron is the simplest of all the ordinary convex polyhedra. The tetrahedron is the three-dimensional case of the more general concept of a Euclidean simplex, and may thus also be called a 3-simplex. The tetrahedron is one kind of pyramid, which is a polyhedron with a flat polygon base and triangular faces connecting the base to a common point.
Yamabe problemThe Yamabe problem refers to a conjecture in the mathematical field of differential geometry, which was resolved in the 1980s. It is a statement about the scalar curvature of Riemannian manifolds: Let (M,g) be a closed smooth Riemannian manifold. Then there exists a positive and smooth function f on M such that the Riemannian metric fg has constant scalar curvature. By computing a formula for how the scalar curvature of fg relates to that of g, this statement can be rephrased in the following form: Let (M,g) be a closed smooth Riemannian manifold.
Platonic solidIn geometry, a Platonic solid is a convex, regular polyhedron in three-dimensional Euclidean space. Being a regular polyhedron means that the faces are congruent (identical in shape and size) regular polygons (all angles congruent and all edges congruent), and the same number of faces meet at each vertex. There are only five such polyhedra: Geometers have studied the Platonic solids for thousands of years. They are named for the ancient Greek philosopher Plato who hypothesized in one of his dialogues, the Timaeus, that the classical elements were made of these regular solids.
Frame of referenceIn 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.
