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List of works by Kenji Sugisaki

A probabilistic spin annihilation method for quantum chemical calculations on quantum computers

scientific article published on 17 September 2020

Ab initio MO analysis of the excited electronic states of high-spin quintet 2-methylphenylene-1,3-dinitrene

scientific article published in March 2006

Ab initio and DFT studies of the spin-orbit and spin-spin contributions to the zero-field splitting tensors of triplet nitrenes with aryl scaffolds

scientific article published on 10 March 2011

Ab initio calculations of spin–orbit contribution to the zero-field splitting tensors of nπ∗ excited states by the CASSCF method with MRMP2 energy correction

Adiabatic quantum computing with spin qubits hosted by molecules

scientific article published on 15 December 2014

An ab initio MO study of heavy atom effects on the zero-field splitting tensors of high-spin nitrenes: how the spin–orbit contributions are affected

scientific article published on 01 May 2014

Analyses of sizable ZFS and magnetic tensors of high spin metallocomplexes

scientific article published on 4 September 2017

Behaviour of DFT-based approaches to the spin-orbit term of zero-field splitting tensors: a case study of metallocomplexes, MIII(acac)3 (M = V, Cr, Mn, Fe and Mo).

scientific article published in November 2017

Charge-Transfer Character Drives Möbius Antiaromaticity in the Excited Triplet State of Twisted [28]Hexaphyrin

scientific article published on 09 May 2018

Complete assignment of spin sublevels in the lowest excited triplet state of corrole compounds by time-resolved EPR spectroscopy

Cyclic Triradicals Composed of Iminonitroxide-Gold(I) with Intramolecular Ferromagnetic Interactions

scientific article

ESR analyses of picket fence MnII and 6th ligand coordinated FeIII porphyrins (S = 5/2) and a CoII(hfac) complex (S = 3/2) with sizable ZFS parameters revisited: a full spin Hamiltonian approach and quantum chemical calculations

Fe-transferrins or their homologues in ex-vivo mushrooms as identified by ESR spectroscopy and quantum chemical calculations: A full spin-Hamiltonian approach for the ferric sextet state with intermediate zero-field splitting parameters

High-Spin Nitrene Fine-Structure ESR Spectroscopy in Frozen Rigid Glasses: Exact Analytical Expressions for the Canonical Peaks and A D-Tensor Gradient Method for Line Broadening

article published in 2009

Isostructural M(ii) complexes (M = Mn, Fe, Co) with field-induced slow magnetic relaxation for Mn and Co complexes

scientific article published on 01 August 2019

Magnetic Properties of π-Conjugated Hybrid Phenoxyl-Nitroxide Radicals with Extended π-Spin Delocalization

scientific article published on 16 March 2020

Pulsed electron spin nutation spectroscopy for weakly exchange-coupled multi-spin molecular systems with nuclear hyperfine couplings: a general approach to bi- and triradicals and determination of their spin dipolar and exchange interactions

article by Kazuki Ayabe et al published 4 July 2013 in Molecular Physics

Pulsed electron spin nutation spectroscopy of weakly exchange-coupled biradicals: a general theoretical approach and determination of the spin dipolar interaction

scientific article published on 28 May 2012

Quantum Chemistry on Quantum Computers: A Method for Preparation of Multiconfigurational Wave Functions on Quantum Computers without Performing Post-Hartree-Fock Calculations

scholarly article by Kenji Sugisaki et al published 23 January 2019 in ACS Central Science

Quantum Chemistry on Quantum Computers: A Polynomial-Time Quantum Algorithm for Constructing the Wave Functions of Open-Shell Molecules

scientific article

Quantum chemistry on quantum computers: quantum simulations of the time evolution of wave functions under the S2 operator and determination of the spin quantum number S

scientific article published on 01 July 2019

Quasi-Restricted Orbital Treatment for the Density Functional Theory Calculations of the Spin-Orbit Term of Zero-Field Splitting Tensors

scientific article

Reversible Solution π-Dimerization and Long Multicenter Bonding in a Stable Phenoxyl Radical

Spin-orbit contributions in high-spin nitrenes/carbenes: a hybrid CASSCF/MRMP2 study of zero-field splitting tensors

scientific article published in October 2010

Structural Determination of a DNA Oligomer for a Molecular Spin Qubit Lloyd Model of Quantum Computers

scientific article published in 2017

Synthesis and Characterization of Dibenzo[a,f]pentalene: Harmonization of the Antiaromatic and Singlet Biradical Character.

scientific article

Time-Resolved Electron Paramagnetic Resonance and Phosphorescence Studies of the Lowest Excited Triplet States of Rh(III) Corrole Complexes

scientific article published on 24 September 2012

Trinitroxide-Trioxytriphenylamine: Spin-State Conversion from Triradical Doublet to Diradical Cation Triplet by Oxidative Modulation of a π-Conjugated System

scientific article published on 16 February 2012

Triplet Diradical-Cation Salts Consisting of the Phenothiazine Radical Cation and a Nitronyl Nitroxide

scientific article published on 30 April 2019

Trityl-Aryl-Nitroxide-Based Genuinely g-Engineered Biradicals, As Studied by Dynamic Nuclear Polarization, Multifrequency ESR/ENDOR, Arbitrary Wave Generator Pulse Microwave Waveform Spectroscopy, and Quantum Chemical Calculations

scientific article published on 16 August 2019

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