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Density functional calculations
18
article
8
Ruthenium
6
calculation
6
Conformations
4
Density functional theory
4
EPR spectroscopy
4
Iron
4
Nitric oxide
4
density functional calculation
4
density functional calculations
4
model
4
nitric oxide
4
nitrogen
4
Ab initio and DFT
2
Ab initio density functional calculations
2
Alloys
2
Amines
2
Anticonvulsant sulfamides
2
Basis sets
2
Beryllium
2
Cationic forms
2
Chemical shift
2
Cluster compounds
2
Cluster variation methods
2
Clusters
2
Cobalt
2
Complex 1
2
Computational results
2
Computer simulation
2
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1Publicado 2018Materias: “...Density functional calculations...”
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2Materias: “...Density functional calculations...”
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3por Olabe Iparraguirre, Jose AntonioMaterias: “...Density functional calculations...”
Publicado 2012
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4Materias: “...Density functional calculations...”
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5Publicado 2014Materias: “...Density functional calculations...”
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6Materias: “...Density functional calculations...”
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7Publicado 2012Materias: “...Density functional calculations...”
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8por Rodríguez González, Miriam C., Carro, Pilar, Pensa, Evangelina Laura, Vericat, Carolina, Salvarezza, Roberto Carlos, Hernández Creus, AlbertoMaterias: “...Density functional calculations...”
Publicado 2017
Aportado por: SEDICI (UNLP)Articulo Preprint -
9Materias: “...Density functional calculations...”
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10Publicado 2014Materias: “...Density functional calculations...”
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11Materias: “...Density functional calculations...”
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12por Rodrigues do Nascimento, Rafael, Camargo Dalmatti Alves Lima, Filipe, Brown Gonçalves, Marcos, Errico, Leonardo Antonio, Rentería, Mario, Petrilli, Helena MariaMaterias: “...Density functional calculations...”
Publicado 2015
Aportado por: SEDICI (UNLP)Articulo -
13Publicado 2003Materias: “...Density functional calculations...”
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14Materias: “...Density functional calculations...”
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18por Vitale, A.A., Stahl, A.E., Cecilia dos Santos Claro, P., Alejandra Floridia Addato, M., Pis Diez, R., Jubert, A.H.Materias: “...Density functional calculations...”
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19Publicado 2003Materias: “...Ab initio density functional calculations...”
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20por Marquez, F.M., Cienfuegos, C., Pongsai, B.K., Lavrentiev, M.Y., Allan, N.L., Purton, J.A., Barrera, G.D.Materias: “...Ab initio density functional calculations...”
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