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Publications by O. Anatole von Lilienfeld
Ab Initio Molecular Dynamics Calculations of Ion Hydration Free Energies
Journal of Chemical Physics
Medicine
Theoretical Chemistry
Astronomy
Physics
Physical
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Hydroxide Ion Diffusion in Anion-Exchange Membranes at Low Hydration: Insights From Ab Initio Molecular Dynamics
Action-Derived Ab Initio Molecular Dynamics
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Time-Reversible Ab Initio Molecular Dynamics
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Ab Initio Calculations of Dilithiopropenes
Proceedings of the National Academy of Sciences of the United States of America
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Ab Initio Molecular Dynamics With Quantum Monte Carlo
Frontiers in Materials
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Stereoelectronic Effects in Serine Proteases: Ab Initio Molecular Orbital Calculations
Bulletin of the Chemical Society of Japan
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Inner Shell Definition and Absolute Hydration Free Energy of K+(aq) on the Basis of Quasi-Chemical Theory and Ab Initio Molecular Dynamics
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Ab-Initio Molecular Dynamics Study on Impurities and Defects.
Bulletin of the Japan Institute of Metals
Ab Initio Molecular Dynamics Study of 45S5 Bioactive Silicate Glass
