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It is a "chemistry aware" computer programming language with over 1,000 specific functions for analyzing and manipulating chemical structures and related molecular objects. SVL is a concise, high-level language whose programs are typically 10 times smaller than their equivalent when compared to C or Fortran .
Windows, Linux, OS X; SVL programming language Build, edit and visualise small molecules, macromolecules, protein-ligand complexes, crystal lattices, molecular and property surfaces. Platform for extensive collection of molecular modelling / drug discovery applications. Molekel: MM XRD: Free open-source: Java 3D applet or standalone program ...
CAOS algorithms typically use two databases: a first one of known chemical reactions and a second one of known starting materials (i.e., typically molecules available commercially). Desirable synthetic plans cost less, have high yield, and avoid using hazardous reactions and intermediates.
This is the basis of the claim that MOT does not correctly predict the dissociation of molecules. When MOT includes configuration interaction (MO-CI), this allows the relative contributions of the covalent and ionic contributions to be altered. This leads to the same description of bonding for both VBT and MO-CI.
While Modelica resembles object-oriented programming languages, such as C++ or Java, it differs in two important respects. First, Modelica is a modeling language rather than a conventional programming language. Modelica classes are not compiled in the usual sense, but they are translated into objects which are then exercised by a simulation engine.
Polar solvents can be used to dissolve inorganic or ionic compounds such as salts. The conductivity of a solution depends on the solvation of its ions. Nonpolar solvents cannot solvate ions, and ions will be found as ion pairs. Hydrogen bonding among solvent and solute molecules depends on the ability of each to accept H-bonds, donate H-bonds ...
The second important aspect of self-assembly is the predominant role of weak interactions (e.g. Van der Waals, capillary, , hydrogen bonds, or entropic forces) compared to more "traditional" covalent, ionic, or metallic bonds. These weak interactions are important in materials synthesis for two reasons.
Both ionic and covalent iodides are known for metals in oxidation state +3 (e.g. scandium iodide is mostly ionic, but aluminium iodide is not). Ionic iodides MI n tend to have the lowest melting and boiling points among the halides MX n of the same element, because the electrostatic forces of attraction between the cations and anions are ...