M
Mihai V. Putz
Researcher at West University of Timișoara
Publications - 88
Citations - 1490
Mihai V. Putz is an academic researcher from West University of Timișoara. The author has contributed to research in topics: Electronegativity & Density functional theory. The author has an hindex of 23, co-authored 82 publications receiving 1344 citations. Previous affiliations of Mihai V. Putz include University of the West & University of Calabria.
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About the Mulliken electronegativity in DFT
TL;DR: In this article, a new formulation of electronegativity that recovers the Mulliken definition is proposed and its reliability is checked by computing the electric conductivity values for a large number of elements.
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Atomic Radii Scale and Related Size Properties from Density Functional Electronegativity Formulation
TL;DR: In this paper, a new atomic radii quantitative definition and scale based on DFT first principles is further used to evaluate the atomic diamagnetic susceptibility, polarizability, and chemical hardness.
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Systematic formulations for electronegativity and hardness and their atomic scales within density functional softness theory
TL;DR: In this paper, a unified Mulliken valence with Parr ground-state electronegativity picture is presented, which provides a useful analytical tool on which the absolute hardness as well ionization potential and electron affinity functionals are based.
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Spectral inverse quantum (Spectral-IQ) method for modeling mesoporous systems: application on silica films by FTIR.
Ana-Maria Putz,Mihai V. Putz +1 more
TL;DR: The present work advances the inverse quantum (IQ) structural criterion for ordering and characterizing the porosity of the mesosystems based on the recently advanced ratio of the particle-to-wave nature of quantum objects within the extended Heisenberg uncertainty relationship through employing the quantum fluctuation.
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On the applicability of the HSAB principle through the use of improved computational schemes for chemical hardness evaluation
TL;DR: Improved computational schemes, at different levels of theory, have been used to calculate global hardness values of some probe bases, traditionally classified as hard and soft on the basis of their chemical behavior, and to investigate the quantitative applicability of the HSAB principle.