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LIBROS DEL AUTOR: mihai vputz

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Contributions within Density Functional Theory with Applications in Chemical Reactivity Theory and Electronegativity

Mihai V. Putz / Mihai VPutz

In the limits of the density functional theory there are introduced and deduced fundamental chemical descriptors as the chemical action concept, the chemical field, new electronegativity, rate reaction and chemical hardness formulations, the reduced total energy and the partial Hohenberg-Kohn functionals. For electronic density computations the quantum statistic picture of the ...

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