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La théorie des orbitales moléculaires et l'émergence de la chimie quantique

Abstract : The concept of molecular orbital, which stems from molecular spectroscopy in the end of the 1920ies, eventually turned to be used to describe molecular structure and reactivity in the field of a new subject matter, i.e. quantum chemistry. We organized our investigations in order to adress two major issues : how did the shift from molecular spectroscopy to molecular orbitals take place ? How did molecular orbitals lead to quantum chemistry ? Our study enabled us to show that the molecular orbitals theory emerged at the research crossroads of multi-origin theoricians and experimenters whose skills applied to mathematics, physics as well as chemistry. The history of molecular orbitals theory is that of a network in which the researchers had a more or less hard time trying to find their way in. These people - sort of " hybrids " between chemists, physicists, and mathematicians - who developped the quantum theories of the chemical bond, turned out to be the pioneers of quanrum chemistry.
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  • HAL Id : tel-01750915, version 1


Marie-Dominique Droin-Oger. La théorie des orbitales moléculaires et l'émergence de la chimie quantique. Philosophie. Université Nancy 2, 2003. Français. ⟨NNT : 2003NAN21013⟩. ⟨tel-01750915⟩



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