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O Parisel

Showing results (1-10 of 7) with videos related to

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The Journal of Chemical Physics|October 5, 2010
Importance of backdonation in [M-(CO)]p+ complexes isoelectronic to [Au-(CO)]+C Gourlaouen, O Parisel, J-P Piquemal
The Journal of Physical Chemistry. B|March 3, 2010
Lead substitution in synaptotagmin: a case studyM-C van Severen, J-P Piquemal, O Parisel
Interdisciplinary Sciences, Computational Life Sciences|April 17, 2010
Study of the docking of competitive inhibitors at a model of tyrosinase active site: insights from joint broken-symmetry/Spin-Flip DFT computations and ELF topological analysisA de la Lande, J Maddaluno, O Parisel, et al.
Journal of Chemical Theory and Computation|April 27, 2010
Understanding selectivity of hard and soft metal cations within biological systems using the subvalence concept. I. Application to blood coagulation: direct cation-protein electronic effects vs. indirect interactions through water networksB de Courcy, L G Pedersen, O Parisel, et al.
International Journal of Quantum Chemistry|July 17, 2009
Simple Formulas for Improved Point-Charge Electrostatics in Classical Force Fields and Hybrid Quantum Mechanical/Molecular Mechanical EmbeddingG A Cisneros, S Na-Im Tholander, O Parisel, et al.
Science (New York, N.Y.)|February 7, 2001
First solvation shell of the Cu(II) aqua ion: evidence for fivefold coordinationA Pasquarello, I Petri, P S Salmon, et al.
Journal of the American Chemical Society|August 7, 2010
Gas-phase folding of a two-residue model peptide chain: on the importance of an interplay between experiment and theoryE Gloaguen, B de Courcy, J-P Piquemal, et al.
Pageof 1

Showing results (1-10 of 7) with videos related to

Sort By:
Pageof 1
The Journal of Chemical Physics|October 5, 2010
Importance of backdonation in [M-(CO)]p+ complexes isoelectronic to [Au-(CO)]+C Gourlaouen, O Parisel, J-P Piquemal
The Journal of Physical Chemistry. B|March 3, 2010
Lead substitution in synaptotagmin: a case studyM-C van Severen, J-P Piquemal, O Parisel
Interdisciplinary Sciences, Computational Life Sciences|April 17, 2010
Study of the docking of competitive inhibitors at a model of tyrosinase active site: insights from joint broken-symmetry/Spin-Flip DFT computations and ELF topological analysisA de la Lande, J Maddaluno, O Parisel, et al.
Journal of Chemical Theory and Computation|April 27, 2010
Understanding selectivity of hard and soft metal cations within biological systems using the subvalence concept. I. Application to blood coagulation: direct cation-protein electronic effects vs. indirect interactions through water networksB de Courcy, L G Pedersen, O Parisel, et al.
International Journal of Quantum Chemistry|July 17, 2009
Simple Formulas for Improved Point-Charge Electrostatics in Classical Force Fields and Hybrid Quantum Mechanical/Molecular Mechanical EmbeddingG A Cisneros, S Na-Im Tholander, O Parisel, et al.
Science (New York, N.Y.)|February 7, 2001
First solvation shell of the Cu(II) aqua ion: evidence for fivefold coordinationA Pasquarello, I Petri, P S Salmon, et al.
Journal of the American Chemical Society|August 7, 2010
Gas-phase folding of a two-residue model peptide chain: on the importance of an interplay between experiment and theoryE Gloaguen, B de Courcy, J-P Piquemal, et al.
Pageof 1