未登录

M

Megumi Kayanuma

national institute of advanced industrial science and technology

H指数:16

被引数:928

个人简介

暂无内容

教育背景

暂无内容

工作经历

暂无内容

荣誉奖项

暂无内容

Theoretical Study of Oxidation Mechanism of SiC on Si-Face ((0001) Surface) Using MnO4–

利用MnO4–对SiC的Si面((0001)表面)氧化机理的理论研究

Journal of Physical Chemistry C

IF3.2

2026-08-130

PRE

A Theoretical Study of Radical Formation Mechanisms in PET-RAFT Polymerization Using Porphyrins as Photoredox Catalysts

使用卟啉作为光氧化还原催化剂的PET-RAFT聚合中自由基形成机制的理论研究

JOURNAL OF PHYSICAL CHEMISTRY A

IF2.8

2025-03-050

PRE

Ab Initio Molecular Dynamics Approach for Oxidation of SiC Surface in Contact with Aqueous H2O2 Solutions

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2024-09-260

PRE

Theoretical Investigation into a Possibility of Formation of Propylene Oxide Homochirality in Space

对空间中形成环氧丙烷均手性的可能性的理论研究

IF2.6

2022-11-018

OAAI

Cooperative Reaction of Hydrogen-Networked Water Molecules at the SiC-H2O2 Solution Interface: Microscopic Insights from Ab Initio Molecular Dynamics

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2022-07-267

PRE

Theoretical Study of the Mechanism for the Reaction of Trimethylaluminum with Ozone

IF4.3

2021-09-289

OAAI

On-Demand Chirality Transfer of Human Serum Albumin to Bis(thiophen-2-yl)hexafluorocyclopentenes through Their Photochromic Ring Closure

JOURNAL OF ORGANIC CHEMISTRY

IF3.6

2021-07-298

PRE

Weak O2 binding and strong H2O2 binding at the non-heme diiron center of trypanosome alternative oxidase

BIOCHIMICA ET BIOPHYSICA ACTA-BIOENERGETICS

IF2.7

2021-04-019

OAAI

Theoretical study of the side reactions of the catalytic conversion of ethanol to butadiene on metal oxide catalysts

CATALYSIS COMMUNICATIONS

IF4.3

2021-01-013

OAAI

Understanding the Detection Mechanisms and Ability of Molecular Hydrogen on Three-Dimensional Bicontinuous Nanoporous Reduced Graphene Oxide

IF3.2

2020-05-140

OAAI

A New Lipid Force Field (FUJI)

JOURNAL OF CHEMICAL THEORY AND COMPUTATION

IF5.5

2020-05-086

OA

In Silico Structural Modeling and Analysis of Elongation Factor-1 Alpha and Elongation Factor-like Protein

IF4.3

2019-04-237

OAAI

Electrochemical Generation and Spectroscopic Characterization of the Key Rhodium(III) Hydride Intermediates of Rhodium Poly(bipyridyl) H2-Evolving Catalysts

INORGANIC CHEMISTRY

IF4.7

2018-08-2122

PREAI

A Practical Approach for Searching Stable Molecular Structures by Introducing Repulsive Interactions among Walkers

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN

IF3.8

2018-07-184

OAAI

Photo-induced redox catalysis for proton reduction to hydrogen with homogeneous molecular systems using rhodium-based catalysts

COORDINATION CHEMISTRY REVIEWS

IF23.5

2015-12-0193

PREAI

A QM/MM Study of the L-Threonine Formation Reaction of Threonine Synthase: Implications into the Mechanism of the Reaction Specificity

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

IF15.6

2014-03-1321

PREAI

First application of the HETPHEN concept to new heteroleptic bis(diimine) copper(I) complexes as sensitizers in dye sensitized solar cells

DALTON TRANSACTIONS

IF3.3

2013-01-01107

PREAI

Heteroleptic diimine copper(I) complexes with large extinction coefficients: synthesis, quantum chemistry calculations and physico-chemical properties

DALTON TRANSACTIONS

IF3.3

2013-01-0164

OA

Inorganic photoisomerization: the case study of rhenium(I) complexes

DALTON TRANSACTIONS

IF3.3

2012-01-0131

PREAI

Photophysics of isomerizable Re(I) complexes: A theoretical analysis

COORDINATION CHEMISTRY REVIEWS

IF23.5

2011-11-0141

PREAI