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ORCIDMichel Dupuis
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Journal Articles
- 2019
[j5]Michel Dupuis
, Meghana Nallapu:
Maximal orbital analysis of molecular wavefunctions. J. Comput. Chem. 40(1): 39-50 (2019)- 2008
- [j4]Toshiaki Matsubara, Michel Dupuis, Misako Aida:
An insight into the environmental effects of the pocket of the active site of the enzyme. Ab initio ONIOM-molecular dynamics (MD) study on cytosine deaminase. J. Comput. Chem. 29(3): 458-465 (2008) - 1997
- [j3]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): 159-168 (1997) - 1995
- [j2]Antonio M. Márquez, Michel Dupuis:
Parallel Computation of the MP2 Energy on Distributed Memory Computers. J. Comput. Chem. 16(4): 395-404 (1995) - 1993
- [j1]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): 1347-1363 (1993)
Conference and Workshop Papers
- 2006
- [c3]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: 329-337 - 2003
- [c2]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: 168-180 - 1999
- [c1]Misako Aida, H. Yamataka, Michel Dupuis:
Modeling of Reactivities of Organic Molecules by Means of Ab Initio MD Method. LSSC 1999: 319-327
Coauthor Index
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