Works by Ehara, Masahiro

Results: 74

Novel Helical Metallocryptand for Size‐Selective Recognition of Amino Acid Derivatives with Aliphatic Side Chains.

Published in:

Chemistry - A European Journal, 2025, v. 31, n. 36, p. 1, doi. 10.1002/chem.202501277

By:

Firdausiah, Syadza;
Ide, Ryo;
Ehara, Masahiro;
Zhao, Pei;
Sakata, Yoko;
Akine, Shigehisa

Publication type:

Article

Relaxation Dynamics of (6,5) Single-Walled Carbon Nanotube Under Xylyl Functionalization: Relaxation Dynamics of (6,5) Single-Walled Carbon Nanotube: C-H Lin et al.

Published in:

Journal of Electronic Materials, 2025, v. 54, n. 2, p. 985, doi. 10.1007/s11664-024-11628-2

By:

Lin, Chia-Hung;
Shih, Wen-Kai;
Konno, Yui;
Zhao, Pei;
Maeda, Yutaka;
Ehara, Masahiro;
Kobayashi, Takayoshi;
Yabushita, Atsushi

Publication type:

Article

Photoluminescence Properties of Single‐Walled Carbon Nanotubes Influenced by the Tether Length of Reagents with Two Reactive Sites.

Published in:

Chemistry - A European Journal, 2023, v. 29, n. 36, p. 1, doi. 10.1002/chem.202300766

By:

Konno, Yui;
Morooka, Rina;
Morishita, Tatsunari;
Zhao, Pei;
Miyasaka, Naoto;
Ono, Kazuki;
Noda, Akira;
Uchida, Daiki;
Iwasaki, Ren;
Yamada, Michio;
Ehara, Masahiro;
Maeda, Yutaka

Publication type:

Article

Stabilities, Electronic Structures, and Bonding Properties of Iron Complexes (E1E2)Fe(CO)2(CNArTripp2)2 (E1E2=BF, CO, N2, CN−, or NO+).

Published in:

ChemistryOpen, 2020, v. 9, n. 11, p. 1195, doi. 10.1002/open.202000248

By:

Pei, Gerui;
Zhao, Pei;
Xu, Song;
Zhao, Xintian;
Kong, Chuncai;
Yang, Zhimao;
Ehara, Masahiro;
Yang, Tao

Publication type:

Article

Electronic excitations of the green fluorescent protein chromophore in its protonation states: SAC/SAC-CI study.

Published in:

Journal of Computational Chemistry, 2003, v. 24, n. 12, p. 1421

By:

Abhijit K. Das;
Jun-Ya Hasegawa;
Tomoo Miyahara;
Masahiro Ehara;
Hiroshi Nakatsuji

Publication type:

Article

Heat‐Resistant Properties in the Phosphorescence of trans‐Bis[β‐(iminomethyl)aryloxy]platinum(II) Complexes: Effect of Aromaticity on d–π Conjugation Platforms.

Published in:

Chemistry - A European Journal, 2019, v. 25, n. 14, p. 3650, doi. 10.1002/chem.201805785

By:

Inoue, Ryo;
Naito, Masaya;
Ehara, Masahiro;
Naota, Takeshi

Publication type:

Article

Catalytic Oxidation of Benzyl Alcohol to Benzaldehyde on Au 8 and Au 6 Pd 2 Clusters: A DFT Study on the Reaction Mechanism.

Published in:

Catalysts (2073-4344), 2021, v. 11, n. 6, p. 720, doi. 10.3390/catal11060720

By:

Kodchasee, Jitlada;
Chanloi, Chanon;
Khemthong, Pongtanawat;
Uapipatanakul, Boontida;
Ehara, Masahiro;
Bobuatong, Karan

Publication type:

Article

AFX Zeolite for Use as a Support of NH 3 -SCR Catalyst Mining through AICE Joint Research Project of Industries–Academia–Academia.

Published in:

Catalysts (2073-4344), 2021, v. 11, n. 2, p. 163, doi. 10.3390/catal11020163

By:

Ogura, Masaru;
Shimada, Yumiko;
Ohnishi, Takeshi;
Nakazawa, Naoto;
Kubota, Yoshihiro;
Yokoi, Toshiyuki;
Ehara, Masahiro;
Shimizu, Kenichi;
Tsunoji, Nao;
Gao, Feng;
Toops, Todd J.;
Lamonier, Jean-François

Publication type:

Article

N-Heterocyclic carbene-based C-centered Au(I)-Ag(I) clusters with intense phosphorescence and organelle-selective translocation in cells.

Published in:

Nature Communications, 2022, v. 13, n. 1, p. 1, doi. 10.1038/s41467-022-31891-3

By:

Lei, Zhen;
Endo, Mizuki;
Ube, Hitoshi;
Shiraogawa, Takafumi;
Zhao, Pei;
Nagata, Koichi;
Pei, Xiao-Li;
Eguchi, Tomoya;
Kamachi, Toshiaki;
Ehara, Masahiro;
Ozawa, Takeaki;
Shionoya, Mitsuhiko

Publication type:

Article

The effect of vibrational motion on the dynamics of shape resonant photoionization of BF3 leading to the [image omitted] state of [image omitted].

Published in:

Molecular Physics, 2010, v. 108, n. 7-9, p. 1055, doi. 10.1080/00268971003641866

By:

Lucchese, Robert R.;
Montuoro, Raffaele;
Kotsis, Konstantinos;
Tashiro, Motomichi;
Ehara, Masahiro;
Bozek, John D.;
Das, Aloke;
Landry, April;
Rathbone, Jeff;
Poliakoff, E. D.

Publication type:

Article

Low-lying valence excited states of CNC, C2N, N3, and NCO studied using the electron-attached and ionized symmetry-adapted-cluster configuration-interaction and equation-of-motion coupled-cluster methodologies.

Published in:

Molecular Physics, 2009, v. 107, n. 8-12, p. 871, doi. 10.1080/00268970802672668

By:

Ehara, Masahiro;
Gour, Jeffery R.;
Piecuch, Piotr

Publication type:

Article

Substrate-Specific Activation and Long-Range Olefin Migration Catalysis at the Pd Centers in a Porous Metal-Macrocycle Framework.

Published in:

Bulletin of the Chemical Society of Japan, 2022, v. 95, n. 9, p. 1303, doi. 10.1246/bcsj.20220185

By:

Mengying Han;
Shohei Tashiro;
Takafumi Shiraogawa;
Masahiro Ehara;
Mitsuhiko Shionoya

Publication type:

Article

Pt-Pd Nanoalloy for the Unprecedented Activation of Carbon-Fluorine Bond at Low Temperature.

Published in:

Bulletin of the Chemical Society of Japan, 2020, v. 93, n. 10, p. 1180, doi. 10.1246/bcsj.20200112

By:

Dhital, Raghu Nath;
Keigo Nomura;
Yoshinori Sato;
Setsiri Haesuwannakij;
Masahiro Ehara;
Hidehiro Sakurai

Publication type:

Article

Corrigendum: Electronic Transitions in Conformationally Controlled Tetrasilanes with a Wide Range of SiSiSiSi Dihedral Angles.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 5, p. 1839, doi. 10.1002/chem.201500117

By:

Tsuji, Hayato;
Fogarty, Heather A.;
Ehara, Masahiro;
Fukuda, Ryoichi;
Casher, Deborah L.;
Tamao, Kohei;
Nakatsuji, Hiroshi;
Michl, Josef

Publication type:

Article

Proton-Induced Generation of Remote N-Heterocyclic Carbene-Ru Complexes.

Published in:

Chemistry - A European Journal, 2015, v. 21, n. 1, p. 106, doi. 10.1002/chem.201404932

By:

Fukushima, Takashi;
Fukuda, Ryoichi;
Kobayashi, Katsuaki;
Caramori, Giovanni F.;
Frenking, Gernot;
Ehara, Masahiro;
Tanaka, Koji

Publication type:

Article

Electronic Transitions in Conformationally Controlled Tetrasilanes with a Wide Range of SiSiSiSi Dihedral Angles.

Published in:

Chemistry - A European Journal, 2014, v. 20, n. 30, p. 9431, doi. 10.1002/chem.201403495

By:

Tsuji, Hayato;
Fogarty, Heather A.;
Ehara, Masahiro;
Fukuda, Ryoichi;
Casher, Deborah L.;
Tamao, Kohei;
Nakatsuji, Hiroshi;
Michl, Josef

Publication type:

Article

Investigation of the Suzuki–Miyaura cross-coupling reaction on a palladium H-beta zeolite with DFT calculations.

Published in:

Scientific Reports, 2024, v. 14, n. 1, p. 1, doi. 10.1038/s41598-023-51116-x

By:

Boekfa, Bundet;
Maihom, Thana;
Ehara, Masahiro;
Limtrakul, Jumras

Publication type:

Article

Ag6Cu8(C=CAr)14(DPPB)2: A Rigid Ligand Co‐Protected Bimetallic Silver(I)‐Copper(I) Cluster with Room‐Temperature Luminescence.

Published in:

Chemistry - An Asian Journal, 2023, v. 18, n. 22, p. 1, doi. 10.1002/asia.202300844

By:

Jin, Jun‐Ling;
Zhang, Sheng‐Fa;
Zhao, Pei;
Shen, Yang‐Lin;
Fang, Jun‐Jie;
Liu, Zheng;
Ehara, Masahiro;
Mi, Li‐Wei;
Xie, Yun‐Peng;
Lu, Xing

Publication type:

Article

Front Cover: Origin of the Aggregation‐Induced Phosphorescence of Platinum(II) Complexes: The Role of Metal–Metal Interactions on Emission Decay in the Crystalline State (Chem. Asian J. 20/2021).

Published in:

Chemistry - An Asian Journal, 2021, v. 16, n. 20, p. 3013, doi. 10.1002/asia.202101073

By:

Inoue, Ryo;
Naota, Takeshi;
Ehara, Masahiro

Publication type:

Article

Origin of the Aggregation‐Induced Phosphorescence of Platinum(II) Complexes: The Role of Metal–Metal Interactions on Emission Decay in the Crystalline State.

Published in:

Chemistry - An Asian Journal, 2021, v. 16, n. 20, p. 3129, doi. 10.1002/asia.202100887

By:

Inoue, Ryo;
Naota, Takeshi;
Ehara, Masahiro

Publication type:

Article

Front Cover: Mechanistic Studies on Photoinduced Catalytic Olefin Migration Reactions at the Pd(II) Centers of a Porous Crystal, Metal‐Macrocycle Framework (Chem. Asian J. 3/2021).

Published in:

Chemistry - An Asian Journal, 2021, v. 16, n. 3, p. 174, doi. 10.1002/asia.202001432

By:

Yonezawa, Hirotaka;
Shiraogawa, Takafumi;
Han, Mengying;
Tashiro, Shohei;
Ehara, Masahiro;
Shionoya, Mitsuhiko

Publication type:

Article

Mechanistic Studies on Photoinduced Catalytic Olefin Migration Reactions at the Pd(II) Centers of a Porous Crystal, Metal‐Macrocycle Framework.

Published in:

Chemistry - An Asian Journal, 2021, v. 16, n. 3, p. 202, doi. 10.1002/asia.202001306

By:

Yonezawa, Hirotaka;
Shiraogawa, Takafumi;
Han, Mengying;
Tashiro, Shohei;
Ehara, Masahiro;
Shionoya, Mitsuhiko

Publication type:

Article

Gold/Palladium Alloy for Carbon-Halogen Bond Activation: An Unprecedented Halide Dependence.

Published in:

Chemistry - An Asian Journal, 2015, v. 10, n. 12, p. 2669, doi. 10.1002/asia.201500722

By:

Dhital, Raghu Nath;
Bobuatong, Karan;
Ehara, Masahiro;
Sakurai, Hidehiro

Publication type:

Article

Inside Cover: Mechanism of the Aerobic Homocoupling of Phenylboronic Acid on Au20 −: A DFT Study (Chem. Asian J. 11/2015).

Published in:

Chemistry - An Asian Journal, 2015, v. 10, n. 11, p. 2302, doi. 10.1002/asia.201500993

By:

Karanjit, Sangita;
Ehara, Masahiro;
Sakurai, Hidehiro

Publication type:

Article

Mechanism of the Aerobic Homocoupling of Phenylboronic Acid on Au20 −: A DFT Study.

Published in:

Chemistry - An Asian Journal, 2015, v. 10, n. 11, p. 2397, doi. 10.1002/asia.201500535

By:

Karanjit, Sangita;
Ehara, Masahiro;
Sakurai, Hidehiro

Publication type:

Article

Self‐Regulated Pathway‐Dependent Chirality Control of Silver Nanoclusters.

Published in:

Angewandte Chemie International Edition, 2022, v. 61, n. 34, p. 1, doi. 10.1002/anie.202208273

By:

Nakashima, Takuya;
Tanibe, Riku;
Yoshida, Hiroto;
Ehara, Masahiro;
Kuzuhara, Miwa;
Kawai, Tsuyoshi

Publication type:

Article

Electronic structure and optical properties of chelating heteroatomic conjugated molecules: a SAC-CI study.

Published in:

Theoretical Chemistry Accounts: Theory, Computation, & Modeling, 2009, v. 124, n. 5/6, p. 395, doi. 10.1007/s00214-009-0629-6

By:

Yun-Peng Lu;
Ehara, Masahiro

Publication type:

Article

Coupling between Substituents as a Function of Cage Structure: Synthesis and Valence Ionized States of Bridgehead Disubstituted Parent and Hexafluorinated Bicyclo[1.1.1]pentane Derivatives C5X6Y2.

Published in:

Chemistry - An Asian Journal, 2007, v. 2, n. 8, p. 1007, doi. 10.1002/asia.200600411

By:

Ehara, Masahiro;
Fukawa, Shuhei;
Nakatsuji, Hiroshi;
David, Donald E.;
Pinkhassik, Evgueni Z.;
Levin, Michael D.;
Apostol, Marcin;
Michl, Josef

Publication type:

Article

Lewis Acid Catalysis of Nb2O5 for Reactions of Carboxylic Acid Derivatives in the Presence of Basic Inhibitors.

Published in:

ChemCatChem, 2019, v. 11, n. 1, p. 383, doi. 10.1002/cctc.201801239

By:

Siddiki, S. M. A. Hakim;
Rashed, Md. Nurnobi;
Ali, Md. Ayub;
Toyao, Takashi;
Hirunsit, Pussana;
Ehara, Masahiro;
Shimizu, Ken‐ichi

Publication type:

Article

Intramolecular Hydroamination by a Primary Amine of an Unactivated Alkene on Gold Nanoclusters: A DFT Study.

Published in:

ChemCatChem, 2017, v. 9, n. 24, p. 4490, doi. 10.1002/cctc.201700839

By:

Bobuatong, Karan;
Sakurai, Hidehiro;
Ehara, Masahiro

Publication type:

Article

Front Cover: Intramolecular Hydroamination by a Primary Amine of an Unactivated Alkene on Gold Nanoclusters: A DFT Study (ChemCatChem 24/2017).

Published in:

ChemCatChem, 2017, v. 9, n. 24, p. 4448, doi. 10.1002/cctc.201701911

By:

Bobuatong, Karan;
Sakurai, Hidehiro;
Ehara, Masahiro

Publication type:

Article

Intramolecular Hydroamination by a Primary Amine of an Unactivated Alkene on Gold Nanoclusters: A DFT Study.

Published in:

ChemCatChem, 2017, v. 9, n. 24, p. 4450, doi. 10.1002/cctc.201701915

By:

Bobuatong, Karan;
Sakurai, Hidehiro;
Ehara, Masahiro

Publication type:

Article

A Theoretical Investigation on CO Oxidation by Single-Atom Catalysts M1/γ-Al2O3 (M=Pd, Fe, Co, and Ni).

Published in:

ChemCatChem, 2017, v. 9, n. 7, p. 1222, doi. 10.1002/cctc.201601713

By:

Yang, Tao;
Fukuda, Ryoichi;
Hosokawa, Saburo;
Tanaka, Tsunehiro;
Sakaki, Shigeyoshi;
Ehara, Masahiro

Publication type:

Article

Sumanenetrione Anions Generated by Electrochemical and Chemical Reduction.

Published in:

Chemistry Letters, 2014, v. 43, n. 8, p. 1297, doi. 10.1246/cl.140351

By:

Shuhei Higashibayashi;
Shrestha, Binod Babu;
Yuki Morita;
Masahiro Ehara;
Kei Ohkubo;
Shunichi Fukuzumi;
Hidehiro Sakurai

Publication type:

Article

Facile Method of Halogen Exchange between Au(Cl)(L) and MeC(O)X (L = PPh3 and IPr; X = Br and I) via σ-Bond Metathesis Supported by DFT Calculation.

Published in:

Chemistry Letters, 2013, v. 42, n. 8, p. 831, doi. 10.1246/cl.130335

By:

Atsushi Sanagawa;
Hitoshi Kuniyasu;
Takanori Iwasaki;
Nobuaki Kambe;
Karan Bobuatong;
Masahiro Ehara

Publication type:

Article

Self‐Regulated Pathway‐Dependent Chirality Control of Silver Nanoclusters.

Published in:

Angewandte Chemie, 2022, v. 134, n. 34, p. 1, doi. 10.1002/ange.202208273

By:

Nakashima, Takuya;
Tanibe, Riku;
Yoshida, Hiroto;
Ehara, Masahiro;
Kuzuhara, Miwa;
Kawai, Tsuyoshi

Publication type:

Article

Gold‐Palladium Nanocluster Catalysts for Homocoupling: Electronic Structure and Interface Dynamics.

Published in:

Chemical Record, 2019, v. 19, n. 5, p. 947, doi. 10.1002/tcr.201800177

By:

Ehara, Masahiro;
Priyakumar, U. Deva

Publication type:

Article

Special Issue: Next Generation Li and Na Rechargeable Batteries.

Published in:

Chemical Record, 2019, v. 19, n. 4, p. 689, doi. 10.1002/tcr.201800196

By:

Ehara, Masahiro;
Yamashita, Koichi

Publication type:

Article

Special Issue on New Challenges for Catalysis from Theory to Experiment.

Published in:

2016

By:

Ehara, Masahiro

Publication type:

Editorial

Reversible Luminochromism of an N‐Heterocyclic Carbene‐Protected Carbon‐Centered Hexagold(I) Cluster by Solvent and Mechanical Stimuli (Advanced Optical Materials 23/2023).

Published in:

Advanced Optical Materials, 2023, v. 11, n. 23, p. 1, doi. 10.1002/adom.202370096

By:

Foianesi‐Takeshige, Leonardo Hayato;
Pei, Xiao‐Li;
Zhao, Pei;
Ube, Hitoshi;
Lei, Zhen;
Ehara, Masahiro;
Shionoya, Mitsuhiko

Publication type:

Article

Reversible Luminochromism of an N‐Heterocyclic Carbene‐Protected Carbon‐Centered Hexagold(I) Cluster by Solvent and Mechanical Stimuli.

Published in:

Advanced Optical Materials, 2023, v. 11, n. 23, p. 1, doi. 10.1002/adom.202301650

By:

Foianesi‐Takeshige, Leonardo Hayato;
Pei, Xiao‐Li;
Zhao, Pei;
Ube, Hitoshi;
Lei, Zhen;
Ehara, Masahiro;
Shionoya, Mitsuhiko

Publication type:

Article

Electronic processes in NO dimerization on Ag and Cu clusters: DFT and MRMP2 studies.

Published in:

Journal of Computational Chemistry, 2019, v. 40, n. 1, p. 181, doi. 10.1002/jcc.25568

By:

Takagi, Nozomi;
Nakagaki, Masayuki;
Ishimura, Kazuya;
Fukuda, Ryoichi;
Ehara, Masahiro;
Sakaki, Shigeyoshi

Publication type:

Article

Photophysical properties of fluorescent imaging biological probes of nucleic acids: SAC‐CI and TD‐DFT Study.

Published in:

Journal of Computational Chemistry, 2019, v. 40, n. 1, p. 127, doi. 10.1002/jcc.25553

By:

Shiraogawa, Takafumi;
Candel, G.;
Fukuda, Ryoichi;
Ciofini, Ilaria;
Adamo, Carlo;
Okamoto, Akimitsu;
Ehara, Masahiro

Publication type:

Article

Frenkel‐exciton decomposition analysis of circular dichroism and circularly polarized luminescence for multichromophoric systems.

Published in:

Journal of Computational Chemistry, 2018, v. 39, n. 16, p. 931, doi. 10.1002/jcc.25169

By:

Shiraogawa, Takafumi;
Ehara, Masahiro;
Jurinovich, Sandro;
Cupellini, Lorenzo;
Mennucci, Benedetta

Publication type:

Article

Comparing the performance of TD-DFT and SAC-CI methods in the description of excited states potential energy surfaces: An excited state proton transfer reaction as case study.

Published in:

Journal of Computational Chemistry, 2017, v. 38, n. 14, p. 1084, doi. 10.1002/jcc.24780

By:

Savarese, Marika;
Raucci, Umberto;
Fukuda, Ryoichi;
Adamo, Carlo;
Ehara, Masahiro;
Rega, Nadia;
Ciofini, Ilaria

Publication type:

Article

Projected CAP/ SAC- CI method with smooth Voronoi potential for calculating resonance states.

Published in:

Journal of Computational Chemistry, 2016, v. 37, n. 2, p. 242, doi. 10.1002/jcc.24010

By:

Ehara, Masahiro;
Fukuda, Ryoichi;
Sommerfeld, Thomas

Publication type:

Article

Efficiency of perturbation-selection and its orbital dependence in the SAC-CI calculations for valence excitations of medium-size molecules.

Published in:

Journal of Computational Chemistry, 2014, v. 35, n. 30, p. 2163, doi. 10.1002/jcc.23729

By:

Fukuda, Ryoichi;
Ehara, Masahiro

Publication type:

Article

Chemically Intuitive Indices for Charge-Transfer Excitation Based on SAC-CI and TD-DFT Calculations.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 29, p. 2498, doi. 10.1002/jcc.23423

By:

Ehara, Masahiro;
Fukuda, Ryoichi;
Adamo, Carlo;
Ciofini, Ilaria

Publication type:

Article

New Paint and a New Engine.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 1, doi. 10.1002/JCC.23187

By:

Brooks III, Charles L.;
Ehara, Masahiro;
Frenking, Gemot;
Schreiner, Peter R.

Publication type:

Article

New paint and a new engine.

Published in:

Journal of Computational Chemistry, 2013, v. 34, n. 1, p. 1, doi. 10.1002/jcc.23187

By:

Brooks, Charles L.;
Ehara, Masahiro;
Frenking, Gernot;
Schreiner, Peter R.

Publication type:

Article