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Response Functions calculations , NMR and IR

This folder holds the following references to publications, sorted by year and author.

There are 3 references in this bibliography folder.


Filippone, F and Parrinello, M (2001).
Vibrational analysis from linear response theory
Chemical Physics Letters, 345(1-2):179-182.


Sebastiani, D and Parrinello, M (2001).
A New ab-Initio Approach for NMR Chemical Shifts in Periodic Systems
The Journal of Physical Chemistry A, 105(10):1951–1958.


Putrino, A, Sebastiani, D, and Parrinello, M (2000).
Generalized variational density functional perturbation theory
The Journal of Chemical Physics, 113(17):7102-7109.

 
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