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Water
2
article
chemistry
water
Ab initio methodology
1
Adsorption
1
Adsorption energies
1
Aqueous solutions
1
Binding Sites
1
Calculations
1
Computer Simulation
1
Continuum solvation models
1
Crystallography, X-Ray
1
Cytochrome P-450 Enzyme System
1
Density functional theory
1
Ferric Compounds
1
First-principles calculation
1
Formates
1
Formic acid
1
Gasphase
1
Hydrogen Peroxide
1
Hydrogen peroxide
1
Methanol
1
Models, Chemical
1
Molecular Conformation
1
Molecular adsorption
1
Monolayers
1
Nitric Oxide
1
Oxide minerals
1
Particle Size
1
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1
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2