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XDrawChem is an application for chemistry drawing and analysis.
XDrawChem is an application for drawing and analyzing chemical structures and reactions. Please visit the website for full details.
Download source and binary releases here, and clone the source from GitHub at the external link above.
Insensitive (Incredible Nuclear Spin EvolutioN SImulation Tool Intended for Visual Education) is an application to simulate the NMR experiment based on the quantum mechanical density matrix formalism. It is available for Mac OS X 10.6 and above and iOS 5.1.1 and above. Please refer to the paper published in Concepts In Magnetic Resonance, 2011, 38A (2), 17-24.
(We have migrated this project to github [June 1 2015)] http://github.com/msg-byu/enumlib).
The source files have been removed from sourceforge. Go to github (link above) for the latest copy.
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A Fortran 95 implementation of an algorithm for generating derivative structures of a parent lattice. The algorithm is discussed in detail in:
Gus L. W. Hart and Rodney W. Forcade, "Algorithm for generating derivative structures," Phys. Rev. B 77 224115 (26 June 2008) http://msg.byu.edu/papers/GLWHart_enumeration.pdf
Gus L. ...