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Quantum Mechanical Design of Logic Elements of NMR and ESR Molecular Quantum Computers
A. Tamulis, J. Tamuliene, V. Tamulis and A. Zirakoviene

Quantum mechanically designed hardware of molecular NMR and ESR quantum computers are presented. Maximal lengths of these quantum information processing logic gates are no more than few nanometers. There are designed several single supermolecule and supramolecular devices containing biliverdin derivatives and their dimers. Composition of molecular electronics digital logic gates, photoactive molecular machines and elements of molecular NMR quantum computers allowed to design several supramolecular CNOT NMR quantum computing gates. Geometry of neutral radical molecules were optimized by using DFT Unrestricted B3LYP (Becke exchange and Lee-Yang-Parr correlation functionals) model with polarization 6-311G** basis functions. Composition of molecular electronics digital logic gates, and neutral radical molecules were used for the construction of NOT and CNOT logical gates of molecular ESR quantum computers.

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