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Electronic structure
Density functional theory
11
Approximation theory
10
Electronic structure calculations
10
Band structure calculations
8
Molecular dynamics
8
Probability density function
8
Ab initio calculations
7
Calculations
6
Cobalt alloys
6
Dynamics
6
Granular alloys
6
Granular materials
6
Hamiltonians
6
Liquids
6
Magnetic multilayers
6
Multilayers
6
Positive ions
6
Solvents
6
A-density
4
Acid-base equilibria
4
Atomic coordinate
4
Atoms
4
Band structure
4
Car-Parrinello molecular dynamics simulations
4
Car-Parrinello simulation
4
Charge transfer
4
Computational costs
4
Constant of motion
4
Continuum mechanics
4
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1Publicado 2013Materias: “...C. Ab initio calculations...”
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2Materias: “...C. Ab initio calculations...”
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3Publicado 2012Materias: “...Density functional calculations...”
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4Materias: “...Density functional calculations...”
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5por Mitnik, Dario MarceloMaterias: “...Multiconfiguration Dirac-Fock (MCDF) calculations...”
Publicado 2004
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6Materias: “...Multiconfiguration Dirac-Fock (MCDF) calculations...”
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7Materias: “...Band structure calculations...”
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8Publicado 2004Materias: “...Band structure calculations...”
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9Materias: “...Band structure calculations...”
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10Materias: “...Band structure calculations...”
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11Materias: “...Band structure calculations...”
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12Materias: “...Band structure calculations...”
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13Materias: “...Ab-initio calculations...”
Aportado por: Repositorio Digital Universitario (UNC)submittedVersion article -
14Materias: “...Calculations...”
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15Materias: “...Calculations...”
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16por Jiang, Peng, Prendergast, David, Borondics, Ferenc, Porsgaard, Soeren, Giovanetti, Lisandro José, Pach, Elzbieta, Newberg, John, Bluhm, Hendrik, Besenbacher, Flemming, Salmeron, MiquelMaterias: “...Ab initio calculations...”
Publicado 2013
Aportado por: SEDICI (UNLP)Articulo -
17
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18Publicado 2002Materias: “...Band structure calculations...”
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19Materias: “...Theoretical calculations...”
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20Materias: “...Band structure calculations...”
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