Infrared spectroscopyInfrared spectroscopy (IR spectroscopy or vibrational spectroscopy) is the measurement of the interaction of infrared radiation with matter by absorption, emission, or reflection. It is used to study and identify chemical substances or functional groups in solid, liquid, or gaseous forms. It can be used to characterize new materials or identify and verify known and unknown samples. The method or technique of infrared spectroscopy is conducted with an instrument called an infrared spectrometer (or spectrophotometer) which produces an infrared spectrum.
Magnetic susceptibilityIn electromagnetism, the magnetic susceptibility (; denoted χ, chi) is a measure of how much a material will become magnetized in an applied magnetic field. It is the ratio of magnetization M (magnetic moment per unit volume) to the applied magnetizing field intensity H. This allows a simple classification, into two categories, of most materials' responses to an applied magnetic field: an alignment with the magnetic field, χ > 0, called paramagnetism, or an alignment against the field, χ < 0, called diamagnetism.
MicrowaveMicrowave is a form of electromagnetic radiation with wavelengths ranging from about 30 centimeters to one millimeter corresponding to frequencies between 1000 MHz and 300 GHz respectively. Different sources define different frequency ranges as microwaves; the above broad definition includes UHF, SHF and EHF (millimeter wave) bands. A more common definition in radio-frequency engineering is the range between 1 and 100 GHz (wavelengths between 0.3 m and 3 mm). In all cases, microwaves include the entire SHF band (3 to 30 GHz, or 10 to 1 cm) at minimum.
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.
Cryogenic electron microscopyCryogenic electron microscopy (cryo-EM) is a cryomicroscopy technique applied on samples cooled to cryogenic temperatures. For biological specimens, the structure is preserved by embedding in an environment of vitreous ice. An aqueous sample solution is applied to a grid-mesh and plunge-frozen in liquid ethane or a mixture of liquid ethane and propane. While development of the technique began in the 1970s, recent advances in detector technology and software algorithms have allowed for the determination of biomolecular structures at near-atomic resolution.
Ultra high frequencyUltra high frequency (UHF) is the ITU designation for radio frequencies in the range between 300 megahertz (MHz) and 3 gigahertz (GHz), also known as the decimetre band as the wavelengths range from one meter to one tenth of a meter (one decimeter). Radio waves with frequencies above the UHF band fall into the super-high frequency (SHF) or microwave frequency range. Lower frequency signals fall into the VHF (very high frequency) or lower bands.
Inelastic scatteringIn chemistry, nuclear physics, and particle physics, inelastic scattering is a fundamental scattering process in which the kinetic energy of an incident particle is not conserved (in contrast to elastic scattering). In an inelastic scattering process, some of the energy of the incident particle is lost or increased. Although the term is historically related to the concept of inelastic collision in dynamics, the two concepts are quite distinct; inelastic collision in dynamics refers to processes in which the total macroscopic kinetic energy is not conserved.
Spin representationIn mathematics, the spin representations are particular projective representations of the orthogonal or special orthogonal groups in arbitrary dimension and signature (i.e., including indefinite orthogonal groups). More precisely, they are two equivalent representations of the spin groups, which are double covers of the special orthogonal groups. They are usually studied over the real or complex numbers, but they can be defined over other fields. Elements of a spin representation are called spinors.
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.
Semi-empirical quantum chemistry methodSemi-empirical quantum chemistry methods are based on the Hartree–Fock formalism, but make many approximations and obtain some parameters from empirical data. They are very important in computational chemistry for treating large molecules where the full Hartree–Fock method without the approximations is too expensive. The use of empirical parameters appears to allow some inclusion of electron correlation effects into the methods. Within the framework of Hartree–Fock calculations, some pieces of information (such as two-electron integrals) are sometimes approximated or completely omitted.
