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Publications by Elise Duboué-Dijon

Coupled Valence-Bond State Molecular Dynamics Description of an Enzyme-Catalyzed Reaction in a Non-Aqueous Organic Solvent

Journal of Physical Chemistry B

Theoretical Chemistry

Materials Chemistry

English

Quantifying the Strength of a Salt Bridge by Neutron Scattering and Molecular Dynamics

English

Related publications

Bosonic Resonating-Valence-Bond Description of a Doped Antiferromagnet

Physical Review Letters

English

Ab Initio Molecular Dynamics With Correlated Molecular Wave Functions: Generalized Valence Bond Molecular Dynamics and Simulated Annealing

Journal of Chemical Physics

Theoretical Chemistry

English

Towards a Quantitative Bond Valence Description of Coordination Spheres – The Concepts of Valence Entropy and Valence Diversity Coordination Numbers

Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials

Materials Chemistry

Molecular Physics,

Magnetic Materials

English

Towards a Quantitative Bond Valence Description of Coordination Spheres – The Concepts of Valence Entropy and Valence Diversity Coordination Numbers

English

Geometric Entanglement in a One-Dimensional Valence-Bond Solid State

Physical Review A

English

Aqueous Solutions: State of the Art in Ab Initio Molecular Dynamics

Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences

English

4‐Methyltetrahydropyran (4‐MeTHP): Application as an Organic Reaction Solvent

Chemistry - An Asian Journal

Organic Chemistry

English

Enzyme-Catalyzed C–F Bond Formation and Cleavage

Bioresources and Bioprocessing

Renewable Energy

Biomedical Engineering

the Environment

English

Special Issue-Dynamics of Molecular Crystals. Asymmetric Reaction in Crystalline-State.

Nihon Kessho Gakkaishi

English