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Disambiguation of "Dupuis, M."

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High performance computational chemistry: An overview of NWChem a distributed parallel application

, , , , , , , , , , , , and . Computer Physics Communications, 128 (1-2): 260-283 (2000)

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Laurence Dupuis

Lothar Dupuis

Jacques Dupuis

Ludwig Dupuis

Anneliese Dupuis

 

Other publications of authors with the same name

Critical assessment of the hybrid QM/MM-pol-vib approach: Small water clusters using polarizable flexible water potentials, , and . INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 77 (1): 199--210 (2000)NWChem, A Computational Chemistry Package for Parallel Computers, Version 4.6, , , , , , , , , and 47 other author(s). Pacific Northwest National Laboratory, Richland, Washington 99352-0999, USA, (2004)Potentials of mean force with ab initio mixed Hamiltonian models of solvation, , , and . JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, (2003)High performance computational chemistry: An overview of NWChem a distributed parallel application, , , , , , , , , and 3 other author(s). Computer Physics Communications, 128 (1-2): 260-283 (2000)A polarizable mixed Hamiltonian model of electronic structure for micro-solvated excited states. I. Energy and gradients formulation and application to formaldehyde ((1)A(2)), , , and . JOURNAL OF CHEMICAL PHYSICS, 117 (3): 1242--1255 (2002)NWChem, A Computational Chemistry Package for Parallel Computers, Version 5.0, Pacific Northwest National Laboratory, Richland, Washington 99352-0999, USA, , , , , , , , , and 49 other author(s). (2006)Comparison of computational algorithms applied on transthoracic impedance waveforms to predict head-up tilt table testing outcome., , , , , and . Comput. Biol. Medicine, 36 (3): 225-240 (2006)