Big Chemical Encyclopedia

Chemical substances, components, reactions, process design ...

Articles Figures Tables About

Relaxed Fragment Transformation of Reactant Hardness Matrix

3 Relaxed Fragment Transformation of Reactant Hardness Matrix [Pg.71]

As we have already remarked in the preceding section, the relaxed hardness matrix of M = (A B) (Eq. (la)), [Pg.71]

by transforming the AIM-electronegativity equalization equations, dfi = d Nif = — 5Ntj, one obtains their REM representation  [Pg.72]

We would like to emphasize that the REM basis vectors, = (dkel = tk, are not orthonormal, since their metric [Pg.72]




SEARCH



Matrix fragmentation

Matrix transform

Matrix transformation

Transformation of matrices

Transformation relaxation

© 2024 chempedia.info