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Electronic structure
Electronic density of states
6
A-density
4
Acid-base equilibria
4
Atomic coordinate
4
Car-Parrinello molecular dynamics simulations
4
Car-Parrinello simulation
4
Computational costs
4
Constant of motion
4
Continuum mechanics
4
Continuum model
4
Continuum solvents
4
Density functional theory
4
Dielectric functions
4
Dielectric medium
4
Dynamics
4
Electronic density
4
Electronic structure calculations
4
Experimental research
4
Fermi level
4
First-principles
4
Interfacial region
4
Kohn-Sham potential
4
Liquids
4
Molecular dynamics
4
Molecular dynamics simulations
4
Molecular mechanism
4
Multigrid methods
4
Periodic boundary conditions
4
Phase interfaces
4
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1Publicado 2003Materias: “...Electronic density of states...”
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2Materias: “...Electronic density of states...”
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3Materias: “...Electronic density of states...”
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4Materias: “...Electronic density of states...”
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5Structure 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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6Structure and spin-state energetics of an iron porphyrin model: An assessment of theoretical methodsMaterias: “...Electronic density of states...”
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7Materias: “...Electronic density...”
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8Materias: “...Electronic density...”
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10Materias: “...Electronic density...”
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