Interactive quantum chemistry in SAMSON - Basic benzene example

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Uploaded by on Aug 3, 2011

A user of SAMSON (Software for Adaptive Modeling and Simulation Of Nanosystems) interactively edits a benzene molecule using a semi-empirical quantum chemistry model (ASED). While the user edits the system, the electronic structure and the electron density surface are automatically updated, and the system is being minimized continuously. In general, SAMSON integrates adaptive, incremental algorithms for molecular modeling and simulation. © NANO-D - INRIA. http://nano-d.inrialpes.fr

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