Electronic Structure of Dodecyl Syringate Radical Suitable for ESR Molecular Quantum Computers

Autor:	J. Tamulienė, A. Tamulis, J. Kulys
Jazyk:	angličtina
Rok vydání:	2004
Předmět:	quantum bits quantum computers logic gates radical syringate Analysis QA299.6-433
Zdroj:	Nonlinear Analysis, Vol 9, Iss 2 (2004)
Druh dokumentu:	article
ISSN:	1392-5113 2335-8963
DOI:	10.15388/NA.2004.9.2.15166
Popis:	The neutral radical of dodecyl syringate is suggested as a candidate for molecular Electron Spin Resonance (ESR) quantum computers. The first principle of quantum chemical calculations indicates that this molecule with a stable delocalised electron spin may represent a qubit in quantum information processing. The spin density analysis exhibits that unpaired spin of the radical is delocalised in the region of not-compensated valence bond. Isotropic Fermi contact coupling constants and anisotropic spin dipole couplings was investigated and indicated the largest hyperfine splitting (HFS) of ESR spectra on atoms of the above mentioned region of not-compensated valence bond.
Databáze:	Directory of Open Access Journals
Externí odkaz:	https://doaj.org/article/f7c2da1ef4454759bc125ea91b19be2a Zobrazit plný text záznamu View record in DOAJ