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A versatile AMBER-Gaussian QM/MM interface through PUPIL.
Juan Torras
Gustavo de M. Seabra
Erik Deumens
Samuel B. Trickey
Adrian E. Roitberg
Published in:
J. Comput. Chem. (2008)
Keyphrases
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infrared
user interface
user friendly
website
maximum likelihood
gaussian noise
average error
density function
zero crossing
cross section
graphical interface
visual interface