Evaluation of the molecular polarizability using the IPPP-CLOPPA-INDO/S method. Application to molecules of biological interest

The IPPP-CLOPPA-INDO/S method is introduced to investigate the static molecular polarizability in macromolecules. As an example of application, the polarizability of phospholipidic compounds, with and without the presence of water molecules has been estimated. The IPPP technique was employed to calc...

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Detalles Bibliográficos
Autores principales: Botek, E., Giribet, C., De Azua, M.R., Negri, R.M., Bernik, D.
Formato: JOUR
Materias:
Arsenic compounds
Charge transfer
Chemical bonds
Chlorine compounds
Hydrocarbons
Ion exchange
Molecular orbitals
Organic compounds
Quantum chemistry
Supramolecular chemistry
Hydrocarbon chains
Hyper-polarizability
Localized molecular orbitals
Molecular polarizability
Polar head
Presence of water
Molecules
phospholipid
article
chemical model
chemistry
fluorescence polarization
macromolecule
mathematics
molecular biology
Fluorescence Polarization
Macromolecular Substances
Mathematics
Models, Chemical
Molecular Biology
Phospholipids
Acceso en línea:http://hdl.handle.net/20.500.12110/paper_10895639_v112_n30_p6992_Botek
Aporte de:
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) de Universidad de Buenos Aires

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