Michel Dupuis

Publication Activity (10 Years)

Years Active: 1993-2019
Publications (10 Years): 1

Top Topics

Automatic Analysis

Top Venues

J. Comput. Chem.

Publications

Michel Dupuis, Meghana Nallapu
Maximal orbital analysis of molecular wavefunctions. J. Comput. Chem. 40 (1) (2019)
Toshiaki Matsubara, Michel Dupuis, Misako Aida
ONIOM-molecular dynamics (MD) study on cytosine deaminase. J. Comput. Chem. 29 (3) (2008)
Latifa Douali, Matt Ernst, John Miller, Michel Dupuis
Melting Free Energies of DNA Duplexes with oxidized Base Residues and Abasic sites: A Molecular Dynamics Characterization. BIOCOMP (2006)
Theresa L. Windus, Eric J. Bylaska, Michel Dupuis, So Hirata, Lisa Pollack, Dayle M. Smith, Tjerk P. Straatsma, Edoardo Aprà
NWChem: New Functionality. International Conference on Computational Science (2003)
Misako Aida, H. Yamataka, Michel Dupuis
Modeling of Reactivities of Organic Molecules by Means of Ab Initio MD Method. LSSC (1999)
Antonio M. Márquez, Jaime Oviedo, Javier Fernández Sanz, Michel Dupuis
Parallel computation of second derivatives of RHF energy on distributed memory computers. J. Comput. Chem. 18 (2) (1997)
Antonio M. Márquez, Michel Dupuis
Parallel Computation of the MP2 Energy on Distributed Memory Computers. J. Comput. Chem. 16 (4) (1995)
Michael W. Schmidt, Kim K. Baldridge, Jerry A. Boatz, Steven T. Elbert, Mark S. Gordon, Jan H. Jensen, Shiro Koseki, Nikita Matsunaga, Kiet A. Nguyen, Shujun Su, Theresa L. Windus, Michel Dupuis, John A. Montgomery Jr.
General atomic and molecular electronic structure system. J. Comput. Chem. 14 (11) (1993)