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chemistry
article
5
Quantum Theory
3
Water
3
quantum theory
3
water
3
Adsorption
2
Computer Simulation
2
Crystallography, X-Ray
2
Density functional theory
2
Hemeproteins
2
Models, Chemical
2
Molecular Dynamics Simulation
2
Oxide minerals
2
Surface Properties
2
Titanium
2
Titanium dioxide
2
X ray crystallography
2
chemical model
2
computer simulation
2
hemoprotein
2
molecular dynamics
2
surface property
2
titanium
2
titanium dioxide
2
Ab initio methodology
1
Adsorption energies
1
Aqueous solutions
1
Atomic trajectories
1
Bacterial Proteins
1
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2
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3
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4JOUR
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5
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