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Physical Chemistry Chemical Physics : PCCP|April 2, 2010
Structural, energetic and dynamical properties of sodiated oligoglycines: relevance of a polarizable force fieldDavid Semrouni, Gilles Ohanessian, Carine ClavaguéraThe Journal of Physical Chemistry. B|November 18, 2011
Structures and IR spectra of the Gramicidin S peptide: pushing the quest for low-energy conformationsKaustubh Joshi, David Semrouni, Gilles Ohanessian, et al.The Journal of Physical Chemistry. B|January 10, 2013
Relationship between conformational dynamics and electron transfer in a desolvated peptide. Part II. Temperature dependenceJoel H Parks, David Semrouni, Carine Clavaguéra, et al.The Journal of Physical Chemistry. B|January 10, 2013
Relationship between conformational dynamics and electron transfer in a desolvated peptide. Part I. StructuresDavid Semrouni, Carine Clavaguéra, Gilles Ohanessian, et al.Journal of Chemical Theory and Computation|November 21, 2015
Finite Temperature Infrared Spectra from Polarizable Molecular Dynamics SimulationsDavid Semrouni, Ashwani Sharma, Jean-Pierre Dognon, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|March 6, 2012
Structure of sodiated polyglycinesO Petru Balaj, David Semrouni, Vincent Steinmetz, et al.Journal of the American Society for Mass Spectrometry|March 2, 2010
Structure of sodiated octa-glycine: IRMPD spectroscopy and molecular modelingDavid Semrouni, O Petru Balaj, Florent Calvo, et al.Journal of Chemical Theory and Computation|November 20, 2015
Ab Initio Extension of the AMOEBA Polarizable Force Field to Fe(2.)David Semrouni, William C Isley, Carine Clavaguéra, et al.Chemical Communications (Cambridge, England)|July 1, 2014
Are Zr₆-based MOFs water stable? Linker hydrolysis vs. capillary-force-driven channel collapseJoseph E Mondloch, Michael J Katz, Nora Planas, et al.Journal of the American Chemical Society|January 23, 2014
Empirical and theoretical insights into the structural features and host-guest chemistry of M8L4 tube architecturesWenjing Meng, Aaron B League, Tanya K Ronson, et al.Pageof 2