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B3LYP
Calculations
DFT
2
Electronic density of states
2
Electronic structure
2
Energy gap
2
Ground state
2
Hartree-Fock methodologies
2
Hemoglobin
2
Iron compounds
2
Iron porphyrin
2
Mathematical models
2
Moller-Plesset methodologies
2
Oxyhemoglobin model
2
Porphyrin
2
Probability density function
2
Spin state energetics
2
Spin-state energetics
2
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1Structure and spin-state energetics of an iron porphyrin model: An assessment of theoretical methodspor Estrin, Dario ArielMaterias: “...Electronic density of states...”
Publicado 2002
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2Structure and spin-state energetics of an iron porphyrin model: An assessment of theoretical methodsMaterias: “...Electronic density of states...”
JOUR