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Paul Fleurat-Lessard

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Journal Articles

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2021
[j4]
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  - journals/jcc/KleinFP21
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  - https://dblp.org/rec/journals/jcc/KleinFP21
Johanna Klein, Paul Fleurat-Lessard, Julien Pilmé:
New insights in chemical reactivity from quantum chemical topology. J. Comput. Chem. 42(12): 840-854 (2021)
2017
[j3]
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  - journals/jcc/SteinmannFGMMS17
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Stephan N. Steinmann, Paul Fleurat-Lessard, Andreas W. Götz, Carine Michel, Rodrigo Ferreira de Morais, Philippe Sautet:
Molecular mechanics models for the image charge, a comment on "including image charge effects in the molecular dynamics simulations of molecules on metal surfaces". J. Comput. Chem. 38(24): 2127-2129 (2017)
2013
[j2]
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  - journals/jcc/KerberKRSF13
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Torsten Kerber, Rachel Nathaniel Kerber, Xavier Rozanska, Philippe Sautet, Paul Fleurat-Lessard:
QMX: A versatile environment for hybrid calculations applied to the grafting of Al₂Cl₃Me₃ on a silica surface. J. Comput. Chem. 34(13): 1155-1163 (2013)
2012
[j1]
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  - journals/jcc/HaceneARKGF12
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Mohamed Hacene, Ani Anciaux-Sedrakian, Xavier Rozanska, Diego Klahr, Thomas Guignon, Paul Fleurat-Lessard:
Accelerating VASP electronic structure calculations using graphic processing units. J. Comput. Chem. 33(32): 2581-2589 (2012)

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