eBooks - Science & Technology - Science - Mihai Putz - Contributions within Density Functional Theory with Applications in Chemical Reactivity Theory and Electronegativity
Contributions within Density Functional Theory with Applications in Chemical Reactivity Theory and Electronegativity eBook
by Mihai Putz
|
Platforms
Windows Vista / XP / 2000, Mac OS X, Sony Reader Features
|
Availability:
Download Now Price: $19.50
|
Contributions within Density Functional Theory with Applications in Chemical Reactivity Theory and Electronegativity Summary
| 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 path integral Feynman-Kleinert formalism is employed to its markovian approximation, providing the framework in which the majority of the chemical reactions and the reactivity of the electronic systems can be treated together with the internal and environmental couplings. |
|
|
eBooks - Titles - Authors - Science & Technology - Science - Mihai Putz - Contributions within Density Functional Theory with Applications in Chemical Reactivity Theory and Electronegativity