Μάνθος Γ. Παπαδόπουλος, J. Waite
Abstract
The average polarizability and second hyperpolarizability of some azabenzenes are reported and interpreted. A rule allowing the development of basis sets for complex molecules from those of appropriately defined fragments or models of them has been proposed and successfully tested.
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The average polarizability and second hyperpolarizability of some azabenzenes are reported and interpreted. A rule allowing the development of basis sets for complex molecules from those of appropriately defined fragments or models of them has been proposed and successfully tested.
Key concepts: Hyperpolarizability, Polarizability, Computational chemistry, Molecule, Chemical physics, Chemistry, Basis (linear algebra), Molecular physics