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Publications by Michael L. Klein
Bulk and Interfacial Aqueous Fluoride: An Investigation via First Principles Molecular Dynamics†
Journal of Physical Chemistry A
Medicine
Theoretical Chemistry
Physical
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Effects of Molecular Dynamics on Electrical Conductance of Single Molecular Junction in Aqueous Solution: First Principles Calculations
e-Journal of Surface Science and Nanotechnology
Surfaces
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Interfaces
Nanoscience
Bioengineering
Films
Biotechnology
Coatings
Nanotechnology
Towards the First-Principles Investigation of Ordering Dynamics
Materials Science Forum
Mechanics of Materials
Materials Science
Condensed Matter Physics
Mechanical Engineering
Mechanisms of Oxygen Reduction Reactions for Carbon Alloy Catalysts via First Principles Molecular Dynamics
Hyomen Kagaku
First-Principles Molecular Dynamics Study of Al/Alq3interfaces
Science and Technology of Advanced Materials
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Investigation of Structure and Dynamics of the Hydrated Metal–organic Framework MIL-53(Cr) Using First-Principles Molecular Dynamics
Physical Chemistry Chemical Physics
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Structural Properties of Glassy Ge2Se3from First-Principles Molecular Dynamics
Physical Review B
Interfacial Dynamics in the Spontaneous Motion of an Aqueous Droplet
Fullerene and Nanotube Growth: New Insights Using First Principles and Molecular Dynamics
Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences
Mathematics
Engineering
Astronomy
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First-Principle Molecular Dynamics Investigation of Waterborne AsV Species
