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Publications by Gastone Gilli

Ab Initioprediction of H-Bond Energies and/or Geometries

Acta Crystallographica Section A Foundations of Crystallography
2009English

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Cycloalkane and Cycloalkene C-H Bond Dissociation Energies

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PdnCO (N = 1, 2): Accurate Ab Initio Bond Energies, Geometries, and Dipole Moments and the Applicability of Density Functional Theory for Fuel Cell Modeling

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Amide-To-E-Olefin Versus Amide-To-Ester Backbone H-Bond Perturbations: Evaluating the O−O Repulsion for Extracting H-Bond Energies

Journal of the American Chemical Society
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2006English

Amide-To-E-Olefin Versus Amide-To-Ester Backbone H-Bond Perturbations: Evaluating the O-O Repulsion for Extracting H-Bond Energies

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Estimation of Bond Dissociation Energies and Radical Stabilization Energies by ESR Spectroscopy

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1998English

On the Validity of Bond Free Energies

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Heterolytic Bond Dissociation Energies of Halobenzene Anion Radicals.

Acta Chemica Scandinavica
1992English

Ab Initio Molecular Dynamics Calculations of Ion Hydration Free Energies

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Regioselective C-H Borylation of C (Sp2)-H Bond

Madridge Journal of Novel Drug Research
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