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MG
Marie-Pierre GAIGEOT
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Documents
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Ab-initio molecular dynamics of protonated dialanine and comparison to infrared multiphoton dissociation experimentsJournal of Physical Chemistry A, 2006, 110 (28), pp.8802-8810. ⟨10.1021/jp062114o⟩
Article dans une revue
hal-00157663v1
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Generating approximate Wigner distributions using Gaussian phase packets propagation in imaginary time.Chemical Physics Letters, 2006, 423, pp.390-394
Article dans une revue
hal-00157668v1
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Extracting effective normal modes from equilibrium dynamics at finite temperature.Journal of Chemical Physics, 2006, 125, pp.144106
Article dans une revue
hal-00157618v1
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Infrared spectroscopy of N-Methyl-Acetamide revisited by ab initio molecular dynamics simulationsJournal of Chemical Theory and Computation, 2005, 1, pp.772-789. ⟨10.1021/ct050029z⟩
Article dans une revue
hal-00157370v1
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