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Jérôme Florian Gonthier

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Related publications (13)

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Jérôme Florian Gonthier

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Intramolecular symmetry-adapted perturbation theory with a single-determinant wavefunction

Practical Intramolecular Symmetry Adapted Perturbation Theory via Hartree-Fock Embedding

Study of the Redox Properties of Singlet and Triplet Tris(2,2 '-bipyridine)ruthenium(II) ([Ru(bpy)(3)](2+)) in Aqueous Solution by Full Quantum and Mixed Quantum/Classical Molecular Dynamics Simulations

Exploration of zeroth-order Wavefunctions and Energies for Intramolecular Symmetry-Adapted Perturbation Theory

Quantification and analysis of intramolecular interactions

Adjusting the Local Arrangement of π‑Stacked Oligothiophenes through Hydrogen Bonds: A Viable Route to Promote Charge Transfer

Ligand-Controlled Regiodivergent Pathways of Rhodium(III)-Catalyzed Dihydroisoquinolone Synthesis: Experimental and Computational Studies of Different Cyclopentadienyl Ligands

Modern computational approaches for quantifying inter- and intramolecular interactions

Quantification of "Fuzzy" Chemical Concepts: A Computational Perspective

π-Depletion as criterion to predict π-stacking ability