Michel Dupuis

According to our database, Michel Dupuis authored at least 8 papers between 1993 and 2019.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2019

Maximal orbital analysis of molecular wavefunctions.

Michel Dupuis, Meghana Nallapu

J. Comput. Chem., 2019

2008

An insight into the environmental effects of the pocket of the active site of the enzyme. <i>Ab initio</i> ONIOM-molecular dynamics (MD) study on cytosine deaminase.

Toshiaki Matsubara, Michel Dupuis, Misako Aida

J. Comput. Chem., 2008

2006

Melting Free Energies of DNA Duplexes with oxidized Base Residues and Abasic sites: A Molecular Dynamics Characterization.

Latifa Douali, Matt Ernst, John Miller, Michel Dupuis

Proceedings of the 2006 International Conference on Bioinformatics & Computational Biology, 2006

2003

NWChem: New Functionality.

Theresa L. Windus, Eric J. Bylaska, Michel Dupuis, So Hirata, Lisa Pollack, Dayle M. Smith, Tjerk P. Straatsma, Edoardo Aprà

Proceedings of the Computational Science - ICCS 2003, 2003

1999

Modeling of Reactivities of Organic Molecules by Means of Ab Initio MD Method.

Misako Aida, H. Yamataka, Michel Dupuis

Proceedings of the Large-Scale Scientific Computation for Engineering and Environmental Problems, 1999

1997

Parallel computation of second derivatives of RHF energy on distributed memory computers.

Antonio M. Márquez, Jaime Oviedo, Javier Fernández Sanz, Michel Dupuis

J. Comput. Chem., 1997

1995

Parallel Computation of the MP2 Energy on Distributed Memory Computers.

Antonio M. Márquez, Michel Dupuis

J. Comput. Chem., 1995

1993

General atomic and molecular electronic structure system.

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.

J. Comput. Chem., 1993