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List of works by Haruyuki Nakano

9,9'-Anthryl-anthroxyl radicals: strategic stabilization of highly reactive phenoxyl radicals

scientific article published on 01 April 2015

A combined quantum mechanical and molecular mechanical method using modified generalized hybrid orbitals: implementation for electronic excited states

scientific article published on 20 May 2011

A computational method to simulate global conformational changes of proteins induced by cosolvent

scientific article published on 15 January 2021

A computational scheme of pKa values based on the three-dimensional reference interaction site model self-consistent field theory coupled with the linear fitting correction scheme

scientific article published on 01 November 2018

A study of FeCO+ with correlated wavefunctions

scientific article (publication date: 1999)

A study of the ground state of manganese dimer using quasidegenerate perturbation theory

scientific article published on 01 March 2006

Correction: 9,9'-Anthryl-anthroxyl radicals: strategic stabilization of highly reactive phenoxyl radicals

scientific article published on 01 March 2015

Covalently linked 5,15-diazaporphyrin dimers: promising scaffolds for a highly conjugated azaporphyrin π system

scientific article published on 12 February 2014

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scientific article published on 14 February 2021

Direct and Regioselective Amination of β-Unsubstituted 5,15-Diazaporphyrins with Amines: A Convenient Route to Near-Infrared-Responsive Diazaporphyrin Sensitizers

scientific article published on 2 February 2018

Distinct ionic adsorption sites in defective Prussian blue: a 3D-RISM study

scientific article published on 07 October 2019

Doubly Strapped Redox-Switchable 5,10,15,20-Tetraaryl-5,15-diazaporphyrinoids: Promising Platforms for the Evaluation of Paratropic and Diatropic Ring-Current Effects

scientific article published on 07 January 2021

Effect of Molecular Orientational Correlations on Solvation Free Energy Computed by Reference Interaction Site Model Theory

scientific article published on 27 August 2019

Effect of removing the no-virtual pair approximation on the correlation energy of the He isoelectronic sequence. II. Point nuclear charge model

scientific article published on 01 March 2010

Effect of removing the no-virtual-pair approximation on the correlation energy of the He isoelectronic sequence

scientific article published on 01 May 2007

Electronic structure of CeF from frozen-core four-component relativistic multiconfigurational quasidegenerate perturbation theory.

scientific article

Electronic structure of LaF+ and LaF from frozen-core four-component relativistic multiconfigurational quasidegenerate perturbation theory

scientific article published on 01 March 2008

Electronic structure of LaO based on frozen-core four-component relativistic multiconfigurational quasidegenerate perturbation theory

scientific article published on 01 March 2010

Free base and metal complexes of 5,15-diaza-10,20-dimesitylporphyrins: synthesis, structures, optical and electrochemical properties, and aromaticities

scientific article published on 8 November 2012

Identification of geometrical isomers using vibrational circular dichroism spectroscopy: a series of mixed-ligand complexes of diamagnetic Co(III) ions

scientific article published on 20 December 2010

Low-lying excited states of C120 and C151: a multireference perturbation theory study.

scientific article published on 4 November 2010

Monophosphaporphyrins: oxidative pi-extension at the peripherally fused carbocycle of the phosphaporphyrin ring

scientific article published on 12 January 2008

Multireference perturbation theory with optimized partitioning. I. Theoretical and computational aspects

scientific article published on 8 May 2003

Multireference perturbation theory with optimized partitioning. II. Applications to molecular systems.

scientific article published in September 2003

Nickel(II) and copper(II) complexes of β-unsubstituted 5,15-diazaporphyrins and pyridazine-fused diazacorrinoids: metal-template syntheses and peripheral functionalizations

scientific article published on 30 March 2012

Nitrogen-Bridged Metallodiazaporphyrin Dimers: Synergistic Effects of Nitrogen Bridges and meso-Nitrogen Atoms on Structure and Properties.

scientific article

Optical, electrochemical, and magnetic properties of pyrrole- and thiophene-bridged 5,15-diazaporphyrin dimers

scientific article published on 27 November 2014

Parallel Implementation of the Four-Component Relativistic Quasidegenerate Perturbation Theory with General Multiconfigurational Reference Functions

scientific article published on 18 March 2011

Quasi-degenerate perturbation theory with general multiconfiguration self-consistent field reference functions

scientific article published on 01 September 2002

Redox-Switchable 20π-, 19π-, and 18π-Electron 5,10,15,20-Tetraaryl-5,15-diazaporphyrinoid Nickel(II) Complexes

scientific article published on 08 January 2016

Redox-coupled complexation of 23-phospha-21-thiaporphyrin with group 10 metals: a convenient access to stable core-modified isophlorin-metal complexes

scientific article published on 01 December 2008

Relativistic quasidegenerate perturbation theory with four-component general multiconfiguration reference functions

scientific article published on 01 January 2006

Retro-Diels-Alder approach to the synthesis of π-expanded azuliporphyrins and their porphyrinoid aromaticity

scientific article published on 22 August 2012

Solvatochromism and preferential solvation of Brooker's merocyanine in water-methanol mixtures.

scientific article published on 31 July 2017

Solvent effect on the absorption spectra of coumarin 120 in water: A combined quantum mechanical and molecular mechanical study

scientific article published in January 2011

Syntheses, Properties, and Catalytic Activities of Metal(II) Complexes and Free Bases of Redox-Switchable 20π, 19π, and 18π 5,10,15,20-Tetraaryl-5,15-diazaporphyrinoids.

scientific article

Synthesis and Photophysical Properties of Two Diazaporphyrin-Porphyrin Hetero Dimers in Polar and Nonpolar Solutions.

scientific article

Synthesis and aggregation behavior of meso-sulfinylporphyrins: evaluation of S-chirality effects on the self-organization to S-oxo-tethered cofacial porphyrin dimers

scientific article published in November 2007

Synthesis and reactions of phosphaporphyrins: reconstruction of pi-skeleton triggered by oxygenation of a core phosphorus atom

scientific article published in January 2010

Synthesis of a phosphorus-containing hybrid porphyrin

scientific article published in December 2006

Synthesis, structure, and reactions of (acylimino)triaryl-lambda(5)-bismuthanes: first comparative study of the (acylimino)pnictorane series

scientific article published in November 2001

The ion dependence of carbohydrate binding of CBM36: an MD and 3D-RISM study.

scientific article

Theoretical analysis of co-solvent effect on the proton transfer reaction of glycine in a water-acetonitrile mixture

scientific article published on 01 May 2015

Three-Dimensional Reference Interaction Site Model Self-Consistent Field Study on the Coordination Structure and Excitation Spectra of Cu(II)-Water Complexes in Aqueous Solution

scientific article published on 04 April 2019

Three-dimensional reference interaction site model self-consistent field analysis of solvent and substituent effects on the absorption spectra of Brooker's merocyanine.

scientific article published on 7 July 2015

Three-dimensional reference interaction site model self-consistent field study of the electronic structure of [Cr(H2O)6]3+ in aqueous solution

scientific article published on 16 August 2013

Unsymmetrically Substituted Donor-π-Acceptor-Type 5,15-Diazaporphyrin Sensitizers: Synthesis, Optical and Photovoltaic Properties

scientific article published on 24 February 2017

Valence-bond description of chemical reactions on Born-Oppenheimer molecular dynamics trajectories

scientific article published on 01 April 2009

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