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  • Chaquin Patrick, Canac Yves, Lepetit Christine, Zargarian D, Chauvin Rémi. Estimating local bonding/antibonding character of canonical molecular orbitals from their energy derivatives. The case of coordinating lone pair orbitals. International Journal of Quantum Chemistry, Wiley, 2016, 116, pp.1285 - 1295. ⟨10.1002/qua.25174⟩
Title
  • Estimating local bonding/antibonding character of canonical molecular orbitals from their energy derivatives. The case of coordinating lone pair orbitals
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  • 2016
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