Materias dentro de su búsqueda.
Materias dentro de su búsqueda.
chirality
3
Chirality
2
Molecules
2
Stereochemistry
2
atomic contributions
2
density functional theory
2
dimethyl peroxide
2
hydrogen peroxide
2
methyl hydroperoxide
2
optical rotatory power
2
Atomic contributions
1
Atoms
1
Canonical transformation
1
Computational investigation
1
Correlation detectors
1
Coulomb gauge
1
Density functional theory
1
Density-functional level
1
Dipole moment
1
Electric properties
1
Electron correlation contribution
1
Electron correlation effect
1
Electron correlations
1
Exchange-correlation functionals
1
Functional groups
1
Gauge transformations
1
Hydrogen peroxide
1
Linear response functions
1
Local minima
1
Magnetic field effects
1
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1por Beccar Varela, Maria Pia, Caputo, María Cristina, Ferraro, Marta Beatriz, Mariani, María Cristina, Rial, Diego FernandoMaterias: “...Minimization of paramagnetic contributions...”
Publicado 2000
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2
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3Rationalization of the optical rotatory power of chiral molecules into atomic terms: A study of N2H4Materias: “...Atomic contributions...”
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4Materias: “...Electron correlation contribution...”
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5