Materias dentro de su búsqueda.
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Calculations
Density functional theory
14
Adsorption
4
Atoms
4
1-chloro-2 , 4-dinitrobenzene
2
3d transition metals
2
Ab initio
2
Ab initio density functional theories (DFT)
2
Ab initio methodology
2
Adsorption energies
2
Adsorption isotherms
2
Adsorption potential
2
Alternative procedures
2
Amines
2
Amino acids
2
Antiferro-magnetic interactions
2
Antiferromagnetic correlations
2
Antiferromagnetism
2
Approximation theory
2
Aprotic solvents
2
Aqueous solutions
2
Aromatic nucleophilic substitution
2
Aromatization
2
Basis set superposition errors
2
Bins
2
Characteristic temperature
2
Continuation method
2
Continuum mechanics
2
Continuum solvation models
2
Copyrights
2
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1Publicado 2015Materias: “...First-principles density functional theory...”
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2por Faraggi, M.N., Golovach, V.N., Stepanow, S., Tseng, T.-C., Abdurakhmanova, N., Kley, C.S., Langner, A., Sessi, V., Kern, K., Arnau, A.Materias: “...First-principles density functional theory...”
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3Publicado 2018Materias: “...Density functional theory...”
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4Materias: “...Density functional theory...”
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5Publicado 2013Materias: “...Density functional theory...”
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6Materias: “...Density functional theory...”
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7Publicado 2002Materias: “...Density functional theory...”
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8Materias: “...Density functional theory...”
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9Materias: “...Density functional theory...”
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10Materias: “...Density functional theory...”
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11Materias: “...Density functional theory...”
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12Materias: “...Density functional theory...”
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13Materias: “...Density functional theory...”
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14Materias: “...Density functional theory...”
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