Use of "ab initio" quantum-mechanical approaches (Hartree-Fock, DF) for modelling the surface potential of various layer silicates and some defective structures.
G.Valdre (2006). Ab initio quantum mechanical modelling of layer silicates.
Ab initio quantum mechanical modelling of layer silicates
VALDRE', GIOVANNI
2006
Abstract
Use of "ab initio" quantum-mechanical approaches (Hartree-Fock, DF) for modelling the surface potential of various layer silicates and some defective structures.File in questo prodotto:
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