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List of works by Satoshi Maeda

A Theoretical Study on the Mechanism of the Oxidative Deborylation/C-C Coupling Reaction of Borepin Derivatives

scientific article published on 01 February 2019

A reaction route network for methanol decomposition on a Pt(111) surface

scientific article published on 25 August 2021

AFIR explorations of transition states of extended unsaturated systems: automatic location of ambimodal transition states

scientific article published on 01 July 2020

Ab Initio Molecular Dynamics Study of the Photoreaction of 1,1'-Dimethylstilbene upon S0 → S1 Excitation

scientific article published on 21 October 2016

Ab initio reaction pathways for photodissociation and isomerization of nitromethane on four singlet potential energy surfaces with three roaming paths

scientific article published in June 2014

An Automated and Systematic Transition Structure Explorer in Large Flexible Molecular Systems Based on Combined Global Reaction Route Mapping and Microiteration Methods

scientific article published in October 2009

An autocatalytic cycle in autoxidation of triethylborane.

scientific article published on 5 May 2017

An overlap expansion method for improving ab initio model potentials: anisotropic intermolecular potentials of N2, CO, and C2H2 with He*(2(3)S)

scientific article published on 01 January 2004

Analyses of bifurcation of reaction pathways on a global reaction route map: a case study of gold cluster Au5

scientific article published on 01 July 2015

Analyses of trajectory on-the-fly based on the global reaction route map

scientific article published on 01 January 2018

Anisotropic interaction and stereoreactivity in a chemi-ionization process of OCS by collision with He*(2(3)S) metastable atoms

scientific article published on 01 September 2006

Application of Automated Reaction Path Search Methods to a Systematic Search of Single-Bond Activation Pathways Catalyzed by Small Metal Clusters: A Case Study on H-H Activation by Gold

scientific article published in April 2014

Artificial Force Induced Reaction (AFIR) Method for Exploring Quantum Chemical Potential Energy Surfaces.

scientific article published on 3 June 2016

Artificial Force Induced Reaction Method for Systematic Determination of Complex Reaction Mechanisms.

scientific article published on 5 August 2016

Automated Exploration of Photolytic Channels of HCOOH: Conformational Memory via Excited-State Roaming

scientific article published on 9 July 2012

Automated Search for Minimum Energy Conical Intersection Geometries between the Lowest Two Singlet States S0/S1-MECIs by the Spin-Flip TDDFT Method

scientific article published on 7 August 2013

Automated exploration of adsorption structures of an organic molecule on RuH2-BINAP by the ONIOM method and the scaled hypersphere search method

scientific article published on 20 November 2007

Automated exploration of stable isomers of H(+)(H(2)O)(n) (n = 5-7) via ab initio calculations: An application of the anharmonic downward distortion following algorithm.

scientific article published in April 2009

Automated global mapping of minimal energy points on seams of crossing by the anharmonic downward distortion following method: a case study of H2CO.

scientific article published in March 2009

CASPT2 study of photodissociation pathways of ketene.

scientific article

Catalytic Hydrogenation of Carbon Dioxide with Ammonia-Borane by Pincer-type Phosphorus Compound: A Theoretical Prediction.

scientific article

Catalytic transfer hydrogenation by a trivalent phosphorus compound: phosphorus-ligand cooperation pathway or P(III) /P(V) redox pathway?

scientific article published on 25 March 2014

Chemoselective Cleavage of Si-C(sp<sup>3</sup>) Bonds in Unactivated Tetraalkylsilanes Using Iodine Tris(trifluoroacetate)

scientific article published on 24 December 2020

Combined Automated Reaction Pathway Searches and Sparse Modeling Analysis for Catalytic Properties of Lowest Energy Twins of Cu13

scientific article published on 24 December 2018

Communications: A systematic method for locating transition structures of A+B-->X type reactions

scientific article published on 01 June 2010

Complete active space second order perturbation theory (CASPT2) study of N(²D) + H₂O reaction paths on D₁ and D₀ potential energy surfaces: direct and roaming pathways

scientific article published in October 2014

Computational Catalysis Using the Artificial Force Induced Reaction Method.

scientific article published on 29 March 2016

Contrasting ring-opening propensities in UV-excited α-pyrone and coumarin

scientific article published on 24 December 2015

Conversion pathways between a fullerene and a ring among C(20) clusters by a sphere contracting walk method: Remarkable difference in local potential energy landscapes around the fullerene and the ring.

scientific article published in May 2006

DFT study on isomerization and decomposition of cuprous dialkyldithiophosphate and its reaction with alkylperoxy radical.

scientific article published on 30 May 2008

Deciphering Time Scale Hierarchy in Reaction Networks

scientific article published on 7 December 2015

Designing the Backbone of Hexasilabenzene Derivatives with a High Unimolecular Kinetic Stability

scientific article published on 29 May 2018

Deuterium Uptake in Magnetic-Fusion Devices with Lithium-Conditioned Carbon Walls

scientific article published in Physical Review Letters

Development of a cooled He*(23S) beam source for measurements of state-resolved collision energy dependence of Penning ionization cross sections: Evidence for a stereospecific attractive well around methyl group in CH3CN

scientific article published on 01 November 2005

Development of azo-based fluorescent probes to detect different levels of hypoxia.

scientific article published on 14 October 2013

Different photoisomerization routes found in the structural isomers of hydroxy methylcinnamate

scientific article published on 01 July 2018

Dynamics of deuterium retention and sputtering of Li–C–O surfaces

article

Excess charge driven dissociative hydrogen adsorption on Ti2O4.

scientific article

Excited-State Reactivity of [Mn(im)(CO)(phen)]: A Structural Exploration

scientific article published on 12 September 2018

Experimental and theoretical investigations of isomerization reactions of ionized acetone and its dimer

scientific article published on 17 November 2011

Exploration of Quenching Pathways of Multiluminescent Acenes Using the GRRM Method with the SF-TDDFT Method

scientific article published on 30 October 2015

Exploration of minimum energy conical intersection structures of small polycyclic aromatic hydrocarbons: toward an understanding of the size dependence of fluorescence quantum yields

scientific article published on 14 August 2015

Exploring Potential Energy Surfaces of Large Systems with Artificial Force Induced Reaction Method in Combination with ONIOM and Microiteration

scientific article published on 11 September 2012

Exploring potential crossing seams in periodic systems: Intersystem crossing pathways in the benzene crystal

Exploring radiative and nonradiative decay paths in indole, isoindole, quinoline, and isoquinoline

scientific article published on 23 January 2018

Exploring the Mechanism of Ultrafast Intersystem Crossing in Rhenium(I) Carbonyl Bipyridine Halide Complexes: Key Vibrational Modes and Spin-Vibronic Quantum Dynamics.

scientific article

Exploring the full catalytic cycle of rhodium(i)-BINAP-catalysed isomerisation of allylic amines: a graph theory approach for path optimisation.

scientific article published on 3 May 2017

Exploring transition state structures for intramolecular pathways by the artificial force induced reaction method

scientific article

Finding Minimum Structures on the Seam of Crossing in Reactions of Type A + B → X: Exploration of Nonadiabatic Ignition Pathways of Unsaturated Hydrocarbons

scientific article published on 28 March 2011

Finding Reaction Pathways of Type A + B → X: Toward Systematic Prediction of Reaction Mechanisms

scientific article published on 6 July 2011

Finding important anharmonic terms in the sixth-order potential energy function by the scaled hypersphere search method: an application to vibrational analyses of molecules and clusters.

scientific article

Finding reaction pathways for multicomponent reactions: the Passerini reaction is a four-component reaction

scientific article published on 17 December 2010

Fluorescence Enhancement of Aromatic Macrocycles by Lowering Excited Singlet State Energies

scientific article published on 25 November 2019

Fragmentation network of doubly charged methionine: Interpretation using graph theory.

scientific article published on September 2016

From roaming atoms to hopping surfaces: mapping out global reaction routes in photochemistry.

scientific article published on 2 March 2015

Full rate constant matrix contraction method for obtaining branching ratio of unimolecular decomposition

scientific article published on 31 October 2016

Global Reaction Route Mapping for Surface Adsorbed Molecules: A Case Study for H2O on Cu(111) Surface

Global ab Initio Potential Energy Surfaces for Low-Lying Doublet States of NO3.

scientific article published on 23 July 2012

Global investigation of potential energy surfaces for the pyrolysis of C(1)-C(3) hydrocarbons: toward the development of detailed kinetic models from first principles.

scientific article

Global investigation on the potential energy surface of CH3CN: application of the scaled hypersphere search method

scientific article published in August 2005

Global mapping of equilibrium and transition structures on potential energy surfaces by the scaled hypersphere search method: applications to ab initio surfaces of formaldehyde and propyne molecules.

scientific article published in June 2005

Implementation and performance of the artificial force induced reaction method in the GRRM17 program

scientific article published on 14 November 2017

Insight into global reaction mechanism of [C2, H4, O] system from ab initio calculations by the scaled hypersphere search method

scientific article published on 17 May 2007

Intramolecular vibrational frequencies of water clusters (H2O)n (n=2-5): Anharmonic analyses using potential functions based on the scaled hypersphere search method

scientific article published on 01 August 2008

Ion chemistry of VX surrogates and ion energetics properties of VX: new suggestions for VX chemical ionization mass spectrometry detection

scientific article published on 01 May 2010

Iridium-Catalyzed Asymmetric Borylation of Unactivated Methylene C(sp3)-H Bonds

scientific article published on 18 April 2019

Kinetic Analysis for the Multistep Profiles of Organic Reactions: Significance of the Conformational Entropy on the Rate Constants of the Claisen Rearrangement

scientific article published on 16 November 2015

Kinetic Analysis of a Reaction Path Network Including Ambimodal Transition States: A Case Study of an Intramolecular Diels–Alder Reaction

scientific article published on 31 January 2022

Kinetic prediction of reverse intersystem crossing in organic donor-acceptor molecules

scientific article published on 06 August 2020

Long-Range Migration of a Water Molecule To Catalyze a Tautomerization in Photoionization of the Hydrated Formamide Cluster ⬇️

scientific article published on November 11, 2010

Low-Energy Electrocatalytic CO2 Reduction in Water over Mn-Complex Catalyst Electrode Aided by a Nanocarbon Support and K+ Cations

Lowest transition state for the chirality-determining step in Ru((R)-BINAP)-catalyzed asymmetric hydrogenation of methyl-3-oxobutanoate.

scientific article published in December 2008

Mechanisms for the breakdown of halomethanes through reactions with ground-state cyano radicals

scientific article published on 26 September 2014

Microsolvation of hydrogen sulfide: exploration of H2S.(H2O)n and SH-.H3O+.(H2O)n-1 (n = 5-7) cluster structures on ab initio potential energy surfaces by the scaled hypersphere search method

scientific article published on 29 February 2008

Migrations and Catalytic Action of Water Molecules in the Ionized Formamide-(H2O)2 Cluster

scientific article published on 27 March 2020

Multiple reaction pathways operating in the mechanism of vinylogous Mannich-type reaction activated by a water molecule

scientific article

Multistep Intersystem Crossing Pathways in Cinnamate-Based UV-B Sunscreens.

scientific article published on 22 September 2016

Multistructural microiteration technique for geometry optimization and reaction path calculation in large systems.

scientific article published on 22 June 2017

No Straight Path: Roaming in Both Ground- and Excited-State Photolytic Channels of NO3 -> NO + O2

scientific article published on 01 March 2012

Nontotally symmetric trifurcation of an SN 2 reaction pathway

scientific article published on 29 October 2015

On Benchmarking of Automated Methods for Performing Exhaustive Reaction Path Search

scientific article published on 18 March 2019

Photochemical reactions of the low-lying excited states of formaldehyde: T1/S0 intersystem crossings, characteristics of the S1 and T1 potential energy surfaces, and a global T1 potential energy surface

scientific article published in March 2009

Photochemistry of Methyl Ethyl Ketone: Quantum Yields and S1/S0‐Diradical Mechanism of Photodissociation ⬇️

scientific article published on December 17, 2010

Positive Effect of Water in Asymmetric Direct Aldol Reactions with Primary Amine Organocatalyst: Experimental and Computational Studies

scientific article published on 15 April 2015

Probing anisotropic interaction potentials of unsaturated hydrocarbons with He*(2 3S) metastable atom: attractive-site preference of sigma-direction in C2H2 and pi-direction in C2H4

scientific article published on 01 March 2006

Propargyl-Assisted Selective Amidation Applied in C-terminal Glycine Peptide Conjugation

scientific article published on 25 November 2016

Quantum chemistry study of H+(H2O)8: a global search for its isomers by the scaled hypersphere search method, and its thermal behavior

scientific article published on 22 September 2007

Quasiclassical Trajectory Studies of the Photodissociation Dynamics of NO3 from the D0 and D1 Potential Energy Surfaces

scientific article published on 8 January 2013

RETRACTED: Asymmetric remote C-H borylation of aliphatic amides and esters with a modular iridium catalyst

retracted scientific article published on 01 August 2020

Reaction mechanism of the anomalous formal nucleophilic borylation of organic halides with silylborane: combined theoretical and experimental studies

scientific article published on 23 March 2015

Response to "Comment on 'Analyses of bifurcation of reaction pathways on a global reaction route map: A case study of gold cluster Au5"' [J. Chem. Phys. 143, 177101 (2015)]

scientific article published on 01 November 2015

Sampling of Transition States for Predicting Diastereoselectivity Using Automated Search Method-Aqueous Lanthanide-Catalyzed Mukaiyama Aldol Reaction

scientific article published on 25 June 2013

Structures of water octamers (H2O)8: exploration on ab initio potential energy surfaces by the scaled hypersphere search method

scientific article published on 27 April 2007

Substitution effect on the nonradiative decay and <i>trans</i> → <i>cis</i> photoisomerization route: a guideline to develop efficient cinnamate-based sunscreens

scientific article published on 07 December 2020

Systematic exploration of minimum energy conical intersection structures near the Franck-Condon region

scientific article published on 26 September 2014

Systematic exploration of the mechanism of chemical reactions: the global reaction route mapping (GRRM) strategy using the ADDF and AFIR methods.

scientific article published in March 2013

Temperature dependences of rate coefficients for electron catalyzed mutual neutralization

scientific article published on 01 July 2011

The effect of Mg(2+) incorporation on the structure of calcium carbonate clusters: investigation by the anharmonic downward distortion following method

scientific article published on 01 January 2016

Theoretical insight into the wavelength-dependent photodissociation mechanism of nitric acid

scientific article

Theoretical proton affinity and fluoride affinity of nerve agent VX.

scientific article published on 30 November 2010

Theoretical study on mechanism of the photochemical ligand substitution of fac-[Re(I)(bpy)(CO)3(PR3)](+) complex

scientific article

Theoretical study on the photodissociation of methylamine involving S1, T1, and S0 states

scientific article published on 5 July 2013

Toward Predicting Full Catalytic Cycle Using Automatic Reaction Path Search Method: A Case Study on HCo(CO)3-Catalyzed Hydroformylation

scientific article published on 4 January 2012

Ultrafast Nonadiabatic Cascade and Subsequent Photofragmentation of Extreme Ultraviolet Excited Caffeine Molecule

scientific article published on 29 November 2018

Updated Branching Plane for Finding Conical Intersections without Coupling Derivative Vectors

scientific article published in May 2010

Zn(OTf)2-mediated annulations of N-propargylated tetrahydrocarbolines: divergent synthesis of four distinct alkaloidal scaffolds

scientific article published on 01 May 2019

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