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Nanoroots of Quantum Chemistry Atomic Radii, Periodic Behavior, and Bondons

Nanoroots of Quantum Chemistry Atomic Radii, Periodic Behavior, and Bondons

Mihai V. Putz
Copyright: © 2012 |Pages: 41
ISBN13: 9781466616073|ISBN10: 1466616075|EISBN13: 9781466616080
DOI: 10.4018/978-1-4666-1607-3.ch004
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MLA

Putz, Mihai V. "Nanoroots of Quantum Chemistry Atomic Radii, Periodic Behavior, and Bondons." Nanoscience and Advancing Computational Methods in Chemistry: Research Progress, edited by Eduardo A. Castro and A.K. Haghi, IGI Global, 2012, pp. 103-143. https://doi.org/10.4018/978-1-4666-1607-3.ch004

APA

Putz, M. V. (2012). Nanoroots of Quantum Chemistry Atomic Radii, Periodic Behavior, and Bondons. In E. Castro & A. Haghi (Eds.), Nanoscience and Advancing Computational Methods in Chemistry: Research Progress (pp. 103-143). IGI Global. https://doi.org/10.4018/978-1-4666-1607-3.ch004

Chicago

Putz, Mihai V. "Nanoroots of Quantum Chemistry Atomic Radii, Periodic Behavior, and Bondons." In Nanoscience and Advancing Computational Methods in Chemistry: Research Progress, edited by Eduardo A. Castro and A.K. Haghi, 103-143. Hershey, PA: IGI Global, 2012. https://doi.org/10.4018/978-1-4666-1607-3.ch004

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Abstract

This chapter identifies specific roots of chemistry and quantum chemistry and advances the idea that length and energy carry major roles at the nano-quantum level. A detailed exposition of this binom is unfolded under the specific radii-electronegativity or radii-chemical hardness that is then naturally extended to the radii-chemical descriptors relationships, having the atomic periodicity as the main benchmark check for their reliability. As such, considering different analytic electronegativity scales, they are reported and compared to the respective atomic orbital radii scales, both for the electronic density formulation, as uniform atomic electronic assembly, and for Slater type density orbital, respectively. The scheme for atomic orbital radii is further generalized by chemical descriptors in the frame of density functional theory. Finally, the chemical bond is treated through introducing the chemical quantum particle-the bondon-as a molecular nano-reality in modeling the energy-length space towards the chemical space, or bonding and reactivity. The existence of the chemical field along the associate bondon particle characterized by its mass (), velocity (), charge (), and life-time () are revealed by employing the combined Bohmian quantum formalism with the U(1) and SU(2) gauge transformations of the non-relativistic wave-function and the relativistic spinor, within the Schrödinger and Dirac quantum pictures of electronic motions.

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