Fragment Molecular Orbital method-based Molecular Dynamics (FMO-MD) as a simulator for chemical reactions in explicit solvation
авторы - Yuto Komeiji, Takeshi Ishikawa, Yuji Mochizuki, Hiroshi Yamataka, Tatsuya Nakano
Journal of Computational Chemistry
Volume 30, Issue 1, pages 40–50, 15 January 2009
- DOI:
http://dx.doi.org/10.1002/jcc.21025