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Molecular models may be created for several reasons – as pedagogic tools for students or those unfamiliar with atomistic structures; as objects to generate or test theories (e.g., the structure of DNA); as analogue computers (e.g., for measuring distances and angles in flexible systems); or as aesthetically pleasing objects on the boundary of ...
The structures are similar to the brucite structure. However, whereas the brucite structure can be described as a close-packed structure, in gibbsite the OH groups on the underside of one layer rest on the groups of the layer below. This arrangement led to the suggestion that there are directional bonds between OH groups in adjacent layers. [43]
Molecular geometry is the three-dimensional arrangement of the atoms that constitute a molecule. It includes the general shape of the molecule as well as bond lengths, bond angles, torsional angles and any other geometrical parameters that determine the position of each atom.
When necessary, the position of the hydroxyl group is indicated by a number between the alkane name and the -ol: propan-1-ol for CH 3 CH 2 CH 2 OH, propan-2-ol for CH 3 CH(OH)CH 3. If a higher priority group is present (such as an aldehyde , ketone , or carboxylic acid ), then the prefix hydroxy- is used, [ 19 ] e.g., as in 1-hydroxy-2 ...
Molecular modelling encompasses all methods, theoretical and computational, used to model or mimic the behaviour of molecules. [1] The methods are used in the fields of computational chemistry, drug design, computational biology and materials science to study molecular systems ranging from small chemical systems to large biological molecules and material assemblies.
The steric number of a central atom in a molecule is the number of atoms bonded to that central atom, called its coordination number, plus the number of lone pairs of valence electrons on the central atom. [11] In the molecule SF 4, for example, the central sulfur atom has four ligands; the coordination number of sulfur is four. In addition to ...
These and other types of models can overlap, with a given model involving a variety of abstract structures. In general, mathematical models may include logical models . In many cases, the quality of a scientific field depends on how well the mathematical models developed on the theoretical side agree with results of repeatable experiments.
For example, the water molecule has three normal modes of vibration: symmetric stretch in which the two O-H bond lengths vary in phase with each other, asymmetric stretch in which they vary out of phase, and bending in which the bond angle varies. The molecular symmetry of water is C 2v with four irreducible representations A 1, A 2, B 1 and B 2.