Mobile Block Hessian Approach with Adjoined Blocks: An Efficient Approach for the Calculation of Frequencies in Macromolecules
Ghysels, A., Van Speybroeck, V., Pauwels, E., Van Neck, D., Brooks, B. R., Waroquier, M.Volume:
5
Language:
english
Journal:
Journal of Chemical Theory and Computation
DOI:
10.1021/ct800489r
Date:
May, 2009
File:
PDF, 3.73 MB
english, 2009