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Quantum chemistry
Quantum chemical calculations
18
Molecules
12
Hydrogen bonds
10
Molecular dynamics
8
X ray diffraction
8
Calculations
6
Chemical bonds
6
Crystal structure
6
Ions
6
Mass spectrometry
6
Quantum theory
6
Solvents
6
Ab initio calculations
4
Amino acids
4
Ammonia
4
Calcium
4
Collision-induced dissociation
4
Computational chemistry
4
Conformations
4
Density functional theory
4
Differential scanning calorimetry
4
Dissociation
4
Dynamics
4
Electric fields
4
Electrodes
4
Electrospray ionization
4
Gain insight
4
Gases
4
Ground state
4
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1por Buendía Atencio, Cristian IgnacioMaterias: “...ab initio calculations...”
Publicado 2012
Aportado por: SEDICI (UNLP)Articulo Comunicacion -
2por Paredes Olivera, P., Estiú, Guillermina, Castro, Eduardo Alberto, Arvia, Alejandro JorgeMaterias: “...Hückel molecular-orbital calculations...”
Publicado 1994
Aportado por: SEDICI (UNLP)Articulo -
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4Materias: “...ab initio calculations...”
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5
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6Materias: “...Quantum chemical calculations...”
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8Materias: “...Quantum chemical calculations...”
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9Publicado 2010Materias: “...Ab initio calculations...”
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10Materias: “...Ab initio calculations...”
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11Materias: “...Calculations...”
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12Materias: “...Calculations...”
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13Publicado 2018Materias: “...Variational calculation...”
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14por Alcoba, D.R., Capuzzi, P., Rubio-García, A., Dukelsky, J., Massaccesi, G.E., Oña, O.B., Torre, A., Lain, L.Materias: “...Variational calculation...”
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15Publicado 2014Materias: “...Quantum chemical calculations...”
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16Materias: “...Quantum chemical calculations...”
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17
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18Materias: “...Free-energy calculations...”
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19Publicado 2017Materias: “...Quantum chemical calculations...”
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20por Staffa, J.K., Lorenz, L., Stolarski, M., Murgida, D.H., Zebger, I., Utesch, T., Kozuch, J., Hildebrandt, P.Materias: “...Quantum chemical calculations...”
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