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Can automatically draw rings and other structures - has all standard amino acids and nucleic acids in a built-in library; Retrieval of structures from a network database based on CAS number, formula, or name; Retrieval of information on a molecule based on a drawing; Symbols such as partial charge and radicals
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.
Geometric drawing made with ruler and compass. Geometric drawing consists of a set of processes for constructing geometric shapes and solving problems with the use of a ruler without graduation and the compass (drawing tool). [1] [2] Modernly, such studies can be done with the aid of software, which simulates the strokes performed by these ...
Skeletal structural formula of Vitamin B 12.Many organic molecules are too complicated to be specified by a molecular formula.. The structural formula of a chemical compound is a graphic representation of the molecular structure (determined by structural chemistry methods), showing how the atoms are connected to one another. [1]
Chemical accuracy is the accuracy required to make realistic chemical predictions and is generally considered to be 1 kcal/mol or 4 kJ/mol. To reach that accuracy in an economic way, it is necessary to use a series of post-Hartree–Fock methods and combine the results. These methods are called quantum chemistry composite methods. [56]
A molecular model is a physical model of an atomistic system that represents molecules and their processes. They play an important role in understanding chemistry and generating and testing hypotheses.
In chemistry, the Fischer projection, devised by Emil Fischer in 1891, is a two-dimensional representation of a three-dimensional organic molecule by projection. Fischer projections were originally proposed for the depiction of carbohydrates and used by chemists, particularly in organic chemistry and biochemistry. The use of Fischer projections ...
When part definition is defined mathematically via a solid model, the assertion that one cannot interrogate the model—the direct analog of "scaling the drawing"—becomes ridiculous; because when part definition is defined this way, it is not possible for a drawing or model to be "not to scale". A 2D pencil drawing can be inaccurately ...