Molecular graphics — (MG) is the discipline and philosophy of studying molecules and their properties through graphical representation.[1] IUPAC limits the definition to representations on a graphical display device .[2] Ever since Dalton s atoms and Kekulé s benzene … Wikipedia
Molecular orbital — See also: Molecular orbital theory In chemistry, a molecular orbital (or MO) is a mathematical function describing the wave like behavior of an electron in a molecule. This function can be used to calculate chemical and physical properties such… … Wikipedia
Molecular dynamics — (MD) is a computer simulation of physical movements of atoms and molecules. The atoms and molecules are allowed to interact for a period of time, giving a view of the motion of the atoms. In the most common version, the trajectories of molecules… … Wikipedia
Molecular electronic transition — Molecular electronic transitions take place when electrons in a molecule are excited from one energy level to a higher energy level. The energy change associated with this transition provides information on the structure of a molecule and… … Wikipedia
Bond order potential — Bond order potentials are a class of empirical (analytical) potentials used e.g. in molecular dynamics and molecular statics simulations. Examples include the Tersoff potentialcite journal first = J. last = Tersoff authorlink = coauthors = year … Wikipedia
Molecular binding — is an attractive interaction between two molecules which results in a stable association in which the molecules are in close proximity to each other. The result of molecular binding is formation of a molecular complex. Contents 1 Types 2 Examples … Wikipedia
Molecular orbital diagram — A molecular orbital diagram, or MO diagram for short, is a qualitative descriptive tool explaining chemical bonding in molecules in terms of molecular orbital theory in general and the Linear combination of atomic orbitals molecular orbital… … Wikipedia
Molecular mechanics — A force field is used to minimize the bond stretching energy of this ethane molecule. Molecular mechanics uses Newtonian mechanics to model molecular systems. The potential energy of all systems in molecular mechanics is calculated using force… … Wikipedia
Molecular geometry — Geometry of the water molecule Molecular geometry or molecular structure is the three dimensional arrangement of the atoms that constitute a molecule. It determines several properties of a substance including its reactivity, polarity, phase of… … Wikipedia
Molecular modelling — The backbone dihedral angles are included in the molecular model of a protein. Modelling of ionic li … Wikipedia