Materias dentro de su búsqueda.
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article
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nuclear magnetic resonance spectroscopy
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calculation
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Calculations
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Density functional theory
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Genetic algorithms
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Magnetic Resonance Spectroscopy
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Models, Chemical
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Molecular dynamics
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chemical structure
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crystal structure
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nitrogen
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quantum mechanics
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CPMAS
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DFT-D calculations
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Endohedral clusters
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Energy calculation
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Global optimization
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Models, Molecular
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NMR
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Nanotechnology research
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Nitrogen Isotopes
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Silicon
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Silicon clusters
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1por Nieto, C.I., Cabildo, P., Claramunt, R.M., Cornago, P., Sanz, D., Torralba, M.C., Torres, M.R., Ferraro, M.B., Alkorta, I., Marín-Luna, M., Elguero, J.Materias: “...GIAO calculations...”
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2Materias: “...calculation...”
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3Materias: “...Calculations...”
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4
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5Materias: “...Quantum-mechanical calculation...”
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6Materias: “...Ab initio calculations...”
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7por Alkorta, I., Claramunt, R.M., Elguero, J., Ferraro, M.B., Facelli, J.C., Provasi, P.F., Reviriego, F.Materias: “...DFT-D calculations...”
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8
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9Materias: “...Energy calculation...”
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10Materias: “...Chemical shielding calculations...”
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11Materias: “...Chemical shielding calculations...”
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12Materias: “...calculation...”
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13por Gribble, G.W., Keavy, D.J., Olson, E.R., Rae, I.D., Staffa, A., Herr, T.E., Ferraro, M.B., Contreras, R.H.Materias: “...Magnetic shielding tensor calculations...”
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14por Silva, A.M.S., Silva, V.L.M., Claramunt, R.M., María, D.S., Ferraro, M.B., Reviriego, F., Alkorta, I., Elguero, J.Materias: “...DFT-D calculations...”
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15Materias: “...Calculations...”
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16Materias: “...Energy calculation...”
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17Materias: “...Calculations...”
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18Materias: “...Chemical shielding calculations...”
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19Materias: “...Calculations...”
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