Materias dentro de su búsqueda.
Materias dentro de su búsqueda.
Free energy
4
Molecular dynamics
4
Calculations
3
DFT
3
Density functional theory
3
Quantum Theory
3
Activation energy
2
Adsorption
2
Adsorption energies
2
Computer simulation
2
Dissociation
2
First-principles calculation
2
Hemeproteins
2
Methanol
2
Oxide minerals
2
Phase interfaces
2
Probability density function
2
Quantum theory
2
Reaction kinetics
2
TiO
2
Titanium dioxide
2
Water
2
chemistry
2
hemoprotein
2
molecular dynamics
2
quantum theory
2
water
2
Ab initio methodology
1
Achromobacter xylosoxidans
1
Activation barriers
1
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1por Marcolongo, J.P., Zeida, A., Semelak, J.A., Foglia, N.O., Morzan, U.N., Estrin, D.A., Lebrero, M.C.G., Scherlis, D.A.Materias: “...Free energy...”
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2Materias: “...Reaction free energy...”
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3Materias: “...Free energy...”
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4Materias: “...Activation energy...”
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5Materias: “...Free energy...”
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6Structure and spin-state energetics of an iron porphyrin model: An assessment of theoretical methodsMaterias: “...Energy gap...”
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7Materias: “...Exchange correlation energy...”
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8Materias: “...energy...”
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9Materias: “...Adsorption energies...”
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10Materias: “...Adsorption energies...”
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