Molden
Encyclopedia
Molden is a general molecular and electronic structure processing program.

Major features

  • Reads output from the ab initio packages GAMESS (US)
    GAMESS (US)
    GAMESS is a computational chemistry software program that stands for General Atomic and Molecular Electronic Structure System. The original code started on October 1, 1977 as a National Resources for Computations in Chemistry project. In 1981, the code base split into GAMESS and GAMESS variants,...

    , Gaussian, MOLPRO
    MOLPRO
    MOLPRO is a software package used for accurate ab initio quantum chemistry calculations. It is developed by Peter Knowles at Cardiff University and Hans-Joachim Werner at Universität Stuttgart in collaboration with other authors....

     and from semi-empirical packages such as MOPAC
    MOPAC
    In computational chemistry, MOPAC is a popular computer program designed to implement semi-empirical quantum chemistry algorithms, such as MINDO, MNDO, AM1, PM3, PM5, and . It was largely written in the group of Michael Dewar at University of Texas, Austin...

    , and supports a number of other formats.
  • Displays molecular orbitals or electron density
    Electron density
    Electron density is the measure of the probability of an electron being present at a specific location.In molecules, regions of electron density are usually found around the atom, and its bonds...

     as contour plots or 3D grid plots and output to a number of graphical formats.
  • Animates reaction paths and molecular vibrations.
  • A powerful Z-matrix
    Z-matrix (chemistry)
    In chemistry, the Z-matrix is a way to represent a system built of atoms. A Z-matrix is also known as an internal coordinate representation...

     editor.

See also

The source of this article is wikipedia, the free encyclopedia.  The text of this article is licensed under the GFDL.
 
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