Molecular physics Molecular physics Autoionization is a process by which atoms or molecules spontaneously transition from an electrically neutral state to a lower-energy ionized state. ...more on Wikipedia about "Autoionization"
The coordination geometry of an atom is the geometrical pattern formed by its neighbors in a molecule or a crystal. One given atom is usually characterized by different coordination geometries. ...more on Wikipedia about "Coordination geometry"
In chemistry, electron affinity is the amount of energy absorbed when an electron is added to a neutral isolated gaseous atom to form a gaseous ion with a -1 charge. It has a negative value if energy is released. ...more on Wikipedia about "Electron affinity"
Electron cloud is a term used for introducing the concept of wavefunction in low-level pedagogical introductions to atomic physics, molecular physics, chemistry or quantum chemistry. This idea corresponds to delocated electrons moving or standing like clouds around the atomic or molecular nuclei. This is indeed a better image than the very common image provided by the Bohr model which commonly leads to a visualisation of electrons driving around the nuclei along orbits like the planets around the sun. ...more on Wikipedia about "Electron cloud"
In atomic physics, the electron configuration is the arrangement of electrons in an atom, molecule or other body. Specifically, it is the placement of electrons into atomic, molecular, or other forms of electron orbitals. ...more on Wikipedia about "Electron configuration"
Energy levels are said to be degenerate, if the same energy level is obtained by more than one quantum mechanical state. They are then called degenerate energy levels. ...more on Wikipedia about "Energy level"
In molecular physics, Gaussian orbitals are a mathematical technique ...more on Wikipedia about "Gaussian orbital"
(Huckel method) * The HMO-Model and its applications: Basis and Manipulation, E. Heilbronner and H. Bock, English translation, 1976, Verlag Chemie. ...more on Wikipedia about "Huckel method"
The International Academy of Quantum Molecular Science was created in Menton in 1967, with Professors Raymond Daudel (France), Per-Olov Löwdin (Sweden), Robert G. Parr (USA), John A. Pople (USA) and Bernard Pullman (France) as its founding members, under the inspiration and with the support of Professor Louis de Broglie, Nobel Laureate and Perpetual Secretary of the French Academy of Sciences, Paris. The Academy was planned to have 25 (later 30, and presently 35) regular members under 65 years of age and may have an unlimited number of senior members. The members are chosen among the scientists of all countries who have distinguished themselves by the value of their scientific work, their role of pioneer or leader of a school in the broad field of quantum chemistry, i.e. the application of quantum mechanics to the study of molecules and macromolecules. The Academy has as its main goal to provide a forum for international contact and collaboration and a periodical evaluation of the main developments, advances and promising directions of research in the broad field of its interest. ...more on Wikipedia about "International Academy of Quantum Molecular Science"
Intramolecular describes a process or characteristic limited within the structure of a single molecule; a property or phenomenon limited to the extent of a single molecule. ...more on Wikipedia about "Intramolecular"
The ionization potential, or ionization energy, of an atom or molecule is the energy required to strip it of an electron. More generally, the nth ionization energy is the energy required to strip it of an nth electron after the first have already been removed. It is centrally significant in physical chemistry as a measure of the "reluctance" of an atom or of a molecule to surrender an electron, or the "strength" by which the electron is bound. ...more on Wikipedia about "Ionization potential"
ISO 31-8 is the part of international standard ISO 31 that defines names and symbols for quantities and units related to physical chemistry and molecular physics. ...more on Wikipedia about "ISO 31-8"
A Jablonski diagram is a diagram that illustrates the electronic states of a molecule and the transitions between them. The states are arranged vertically by energy and grouped horizontally by spin multiplicity. Radiative transitions are indicated by straight arrows and nonradiative transitions by squiggly arrows. The vibrational ground states of each electronic state are indicated with thick lines, the higher vibrational states with thinner lines. ...more on Wikipedia about "Jablonski diagram"
A macromolecule is a molecule with a large molecular mass, but generally the use of the term is restricted to ...more on Wikipedia about "Macromolecule"
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The term molecular mechanics refers to the use of Newtonian mechanics to model molecular systems. Molecular mechanics approaches are widely applied in molecular structure refinement, molecular dynamics simulations, Monte Carlo simulations and ligand docking simulations. Molecular mechanics is used to study small chemical systems with a few atoms, or large biological systems or material assemblies with many thousands to millions of atoms. These sytems can be investigation either in vacuum or in presence of solvent such as water. The simulations in vacuum are referred to as gas-phase simulations while the presence of solvent molecules are referred to as explicit solvent simulations. In another type of simulations, the effect of solvent is estimated by use of empirical mathematical expression, known as implicit solvation simulations. ...more on Wikipedia about "Molecular mechanics"
In quantum chemistry, the molecular electronic states, i.e. the eigenstates of the electronic molecular Hamiltonian, are expanded (see configuration interaction expansion and basis) into linear combinations of anti-symmetrized products ( Slater determinants) of one- electron functions. The spatial components of these one-electron functions are called molecular orbitals. (When one considers also their spin component, one speaks of molecular spin orbitals.) ...more on Wikipedia about "Molecular orbital"
Molecular physics is the study of the physical properties of molecules and of the chemical bonds between atoms that bind them into molecules. Its most important experimental techniques are the various types of spectroscopy. The field is closely related to atomic physics and overlaps greatly with theoretical chemistry, physical chemistry and chemical physics. ...more on Wikipedia about "Molecular physics"
In molecular physics, the molecular term symbol is a shorthand expression of the group representation and angular momenta that characterize the state of a molecule, i.e. its electronic quantum state which is an eigenstate of the electronic molecular Hamiltonian. It is the equivalent of the term symbol for the molecule case. However, the following presentation is restricted to the case of homonuclear diatomic molecules, or symmetric molecules with an inversion centre. For heteronuclear diatomic molecules, the u/g symbol does not correspond to any exact symmetry of the electronic molecular Hamiltonian. In the case of less symmetric molecule the molecular term symbol contains the symbol of the group representation to which the molecular electronic state belongs. ...more on Wikipedia about "Molecular term symbol"
In general, a molecule is the smallest particle of a pure chemical substance that still retains its composition and chemical properties. ** In chemistry and molecular sciences, a molecule is a sufficiently stable, electrically neutral entity composed of two or more atoms. ** The concept of monatomic molecule (single-atom, as in noble gases) is used almost exclusively in the kinetic theory of gases. ** ** ** ...more on Wikipedia about "Molecule"
Odd molecule is a term invented by Gilbert N. Lewis in 1916 for a molecule containing an odd number of electrons. ...more on Wikipedia about "Odd molecule"
In the context of atomic orbitals, an open shell is a valence shell which is not completely filled with electrons or which has not given all of its valence electrons through chemical bonds with other atoms or molecules during a chemical reaction. The valence shell of most common elements must contain eight electrons to be completely filled (at least for Periods 2 and 3). This outer shell is filled (or emptied by giving up valence electrons) when establishing chemical bonds. Notice that the outer shell for hydrogen which is in Period 1 may contain only two electrons as opposed to the previously mentioned eight electrons because it is the first shell (s orbital) and the maximum number of electrons that can be contained in this shell is 2 electrons. H2 has therefore a stable covalent bond. The helium atom, also, has only two electrons in its outer shell and has the configuration of a noble gas. As well as all other noble gases it is usually not reacting with other elements and thus very stable. ...more on Wikipedia about "Open shell"
In molecular physics, the Pariser-Parr-Pople method applies semi-empirical quantum mechanical methods to the quantitative prediction of electronic structures and spectra, in molecules of interest in the field of organic chemistry. Previous methods existed, such as the Hückel method which lead to the Hückel's rule, but were limited in their scope, application and complexity, as is the Extended Huckel method. ...more on Wikipedia about "Pariser-Parr-Pople method"
Positronium (Ps) is a quasi-stable system consisting of an electron and its anti-particle, a positron, bound together into an " exotic atom". The orbit of the two particles and the set of energy levels is similar to that of the hydrogen atom (electron and proton). However, because of the different reduced mass, the frequencies associated with the spectral lines are less than half of those of the corresponding hydrogen lines. ...more on Wikipedia about "Positronium"
Protein-protein docking is a field of theoretical biochemistry aimed at predicting properties of the complexes formed by two or more proteins. Specifically, for any given set of proteins, it aims to answer the following questions: *Do the proteins bind in vivo? ...more on Wikipedia about "Protein-protein docking"
In chemistry, a reaction coordinate is an abstract one-dimensional coordinate system which represents progress along a reaction pathway. ...more on Wikipedia about "Reaction coordinate"
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