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.

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

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