Rational design of potential spin qubits manipulated by the valence tautomerism mechanism: quantum-chemical modeling of the trinuclear transition metal complexes with bischelate linkers-Reference-Cited by-同舟云学术

Rational design of potential spin qubits manipulated by the valence tautomerism mechanism: quantum-chemical modeling of the trinuclear transition metal complexes with bischelate linkers

Published:2017 Issue:14 Volume:41 Page:6497-6503
ISSN:1144-0546
Container-title:New Journal of Chemistry
language:en
Short-container-title:New J. Chem.

Author:

Starikova A. A.¹²³^ORCID,Minkin V. I.¹²³^ORCID

Affiliation:

1. Institute of Physical and Organic Chemistry at Southern Federal University

2. Rostov-on-Don

3. Russian Federation

Abstract

A new series of transition metal coordination compounds capable of manifesting the properties of logical elements of quantum computers has been computationally designed using the DFT UB3LYP*/6-311++G(d,p) calculations.

Funder

Russian Foundation for Basic Research

Publisher

Royal Society of Chemistry (RSC)

Subject

Materials Chemistry,General Chemistry,Catalysis

Link

http://pubs.rsc.org/en/content/articlepdf/2017/NJ/C7NJ01071K

Reference51 articles.

1. M. A. Nielsen and I. L.Chuang , Quantum computation and quantum information , Cambridge University Press , Cambridge , 2000

2. D. C. Marinescu , Classical and Quantum Information , Academic Press , 2011

3. Spin-Crossover Materials: Properties and Applications , ed. M. A. Halcrow , John Wiley & Sons , Chichester , 2013

4. G. Aromí , P.Gamez and O.Roubeau , in Spin States in Biochemistry and Inorganic Chemistry: Influence on Structure and Reactivity , ed. M. Swart and M. Costas , John Wiley & Sons , 2016 , pp. 263–296

5. Spin-based quantum computers made by chemistry: hows and whys

Cited by 10 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Preparation and characterization of magnetic and magnetophotonic materials based on organic free radicals;Organic Radicals;2024

2. Macroscopic Polarization Change of Mononuclear Valence Tautomeric Cobalt Complexes Through the Use of Enantiopure Ligand;Chemistry – A European Journal;2022-08-24

3. Conjugated nitroxide radicals;Russian Chemical Reviews;2022

4. Understanding the Origin of One- or Two-Step Valence Tautomeric Transitions in Bis(dioxolene)-Bridged Dinuclear Cobalt Complexes;Journal of the American Chemical Society;2020-05-15

5. o-Quinone phenalenyl derivatives as expedient ligands for the design of magnetically active metal complexes: A computational study;Chemical Physics Letters;2020-02