A Generalized Hybrid Orbital (GHO) Method for the Treatment of Boundary Atoms in Combined QM/MM Calculations
Gao, Jiali, Amara, Patricia, Alhambra, Cristobal, Field, Martin J.Volume:
102
Language:
english
Journal:
The Journal of Physical Chemistry A
DOI:
10.1021/jp9809890
Date:
June, 1998
File:
PDF, 420 KB
english, 1998