Materias dentro de su búsqueda.
Materias dentro de su búsqueda.
Density functional theory
9
Genetic algorithms
8
article
8
Global optimization
6
Molecules
5
Silicon clusters
5
Crystal structure
4
Probability density function
4
density functional theory
4
nuclear magnetic resonance spectroscopy
4
Magnetic Resonance Spectroscopy
3
Magnetic field effects
3
Molecular dynamics
3
Stereochemistry
3
chemistry
3
hydrogen peroxide
3
Atoms
2
Chiral discrimination
2
Chirality
2
Clustering algorithms
2
Computational methods
2
Crystal atomic structure
2
Crystal structure prediction
2
Electronic structure
2
Endohedral clusters
2
Energy calculation
2
Energy functions
2
Hydrogen peroxide
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Magnetic shielding
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Nanotechnology research
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2por Oña, Ofelia Beatriz, Bazterra, Víctor Eduardo, Caputo, María Cristina, Ferraro, Marta Beatriz, Facelli, Julio CésarMaterias: “...Density functional theory...”
Publicado 2005
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3Materias: “...Electronic wave functions...”
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4por Bazterra, Víctor Eduardo, Oña, Ofelia Beatriz, Caputo, María Cristina, Ferraro, Marta Beatriz, Facelli, Julio CésarMaterias: “...Probability density function...”
Publicado 2004
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5Materias: “...Density functional...”
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6Materias: “...Dispersion-corrected density functional...”
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7
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8Materias: “...Density functional theory...”
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9Materias: “...Functions...”
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10por Oña, Ofelia Beatriz, Bazterra, Víctor Eduardo, Caputo, María Cristina, Ferraro, Marta Beatriz, Facelli, Julio CésarMaterias: “...Probability density function...”
Publicado 2006
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11por Oña, Ofelia Beatriz, Bazterra, Víctor Eduardo, Caputo, María Cristina, Ferraro, Marta Beatriz, Facelli, Julio CésarMaterias: “...density functional theory...”
Publicado 2004
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12
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13por Oña, Ofelia Beatriz, Bazterra, Víctor Eduardo, Caputo, María Cristina, Facelli, Julio César, Ferraro, Marta BeatrizMaterias: “...Probability density function...”
Publicado 2006
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14Materias: “...Density functionals...”
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15por Oña, Ofelia Beatriz, Bazterra, Víctor Eduardo, Caputo, María Cristina, Facelli, Julio César, Ferraro, Marta BeatrizMaterias: “...Fukui function...”
Publicado 2005
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16
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17Materias: “...Density functional approximations...”
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18Materias: “...correlation function...”
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19Materias: “...Density functional theory...”
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20Materias: “...Density-functional level...”