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QM/MM Boundaries Across Covalent Bonds: A Frozen Localized Molecular Orbital-Based Approach for the Effective Fragment Potential Method
Kairys, Visvaldas, Jensen, Jan H.Volume:
104
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp000887l
Date:
July, 2000
File:
PDF, 226 KB
english, 2000