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Recent Advances in Fragment Molecular Orbital-Based Molecular Dynamics (FMO-MD) Simulations

Written By

Yuto Komeiji, Yuji Mochizuki, Tatsuya Nakano and Hirotoshi Mori

Submitted: 10 May 2011 Published: 05 April 2012

DOI: 10.5772/35247

From the Edited Volume

Molecular Dynamics - Theoretical Developments and Applications in Nanotechnology and Energy

Edited by Lichang Wang

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Written By

Yuto Komeiji, Yuji Mochizuki, Tatsuya Nakano and Hirotoshi Mori

Submitted: 10 May 2011 Published: 05 April 2012