ModernChargeDensityAnalysis

ORGANIC MATERIALS

The electron density in organic materials can be used to analyse intermolecular interactions and the optical properties of these crystals. Here are some examples.

 

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X-ray contrained ELMO wave functions: test acse on glycil-glycine

Analysis of poalrizabilities in amino acids and their HB aggregates

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Optical properties in salts
of amino acids

kinetic control in high pressure transformations of amino acids

   
   

 

 
   
   

 

 

 

 

 

 

 

 

 

 

 

 

 


Last modified 10.08.2010  Webmaster