On the transferability of atomic contributions to the optical rotatory power of hydrogen peroxide, methyl hydroperoxide and dimethyl peroxide

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The chirality of molecules expresses itself, for example, in the fact that a solution of a chiral molecule rotates the plane of linear polarised light. The underlying molecular property is the optical rotatory power (ORP) tensor, which according to time-dependent perturbation theory can be calculate...

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Autores principales: Sánchez, M., Alkorta, I., Elguero, J., Ferraro, M.B., Sauer, S.P.A.
Formato: JOUR
Materias:
atomic contributions
chirality
density functional theory
dimethyl peroxide
hydrogen peroxide
methyl hydroperoxide
optical rotatory power
Atoms
Chirality
Density functional theory
Dipole moment
Electric properties
Functional groups
Hydrogen peroxide
Molecules
Oxidation
Peroxides
Canonical transformation
Exchange-correlation functionals
Linear response functions
Methyl hydroperoxide
Optical rotatory power
Time dependent density functional theory
Time-dependent perturbation theory
Stereochemistry
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_00268976_v112_n12_p1624_Sanchez
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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