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litLIB: Calculate moments of inertia (Read 2686 times)
Gerrit-Jan Linker
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litLIB: Calculate moments of inertia
16.04.10 at 15:26:16
 
litLIB: Calculate moments of inertia
 
To the Chemistry secton of the litLIB functions library for Excel the following functions were added to calculate the moments of inertia of a molecule:
 
MolPrincipleAxis : Calculates the principle axis of inertia of the given molecule
MolPrincipleMoments: Calculates the principle moments of inertia of the given molecule
 
Syntax:
 
=MolPrincipleAxis( AtomsXYZ )
=MolPrincipleMoments( AtomsXYZ )
where AtomsXYZ is a range of cells (e.g. A1Cheesy10) in which column 1 contains the atom symbols and columns 2-4 the XYZ coordinates.
 
See also:
litLIB help - MolPrincipleAxis
http://www.oraxcel.com/projects/litlib/help/molprincipleaxis.html
litLIB help - MolPrincipleMoments
http://www.oraxcel.com/projects/litlib/help/molprinciplemoments.html
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Gerrit-Jan Linker
Linker IT Software
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