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Journal of Computational Chemistry|May 18, 2024
Theoretical study on the mechanism of alcohol photooxidation on Nb<sub>2</sub>O<sub>5</sub> surfaceWei-Wei Wang, Tsunehiro Tanaka, Masahiro EharaJournal of the American Chemical Society|June 29, 2026
Interplay between Slow Chirality Inversion and Slow Guest Uptake in a Triple-Helical Closed-Cage MetallocryptandSk Asif Ikbal, Masahiro Ehara, Shigehisa AkineMolecular Medicine Reports|April 8, 2011
Expression of interleukin-23 and its receptors in human squamous cell carcinoma of the oral cavityMasakatsu Fukuda, Masahiro Ehara, Seiji Suzuki, et al.RSC Advances|May 6, 2022
Mechanistic insight into the catalytic hydrogenation of nonactivated aldehydes with a Hantzsch ester in the presence of a series of organoboranes: NMR and DFT studiesGo Hamasaka, Hiroaki Tsuji, Masahiro Ehara, et al.RSC Advances|May 11, 2022
Silicon-coordinated nitrogen-doped graphene as a promising metal-free catalyst for N<sub>2</sub>O reduction by CO: a theoretical studyAnchalee Junkaew, Supawadee Namuangruk, Phornphimon Maitarad, et al.Physical Chemistry Chemical Physics : PCCP|April 23, 2025
Unveiling fullerene formation and interconversion through molecular dynamics simulations with deep neural network potentialsYanbo Han, Mengyang Li, Masahiro Ehara, et al.The Journal of Chemical Physics|July 17, 2010
Symmetry-adapted cluster and symmetry-adapted cluster-configuration interaction method in the polarizable continuum model: theory of the solvent effect on the electronic excitation of molecules in solutionRoberto Cammi, Ryoichi Fukuda, Masahiro Ehara, et al.Journal of Computational Chemistry|September 17, 2013
Chemically intuitive indices for charge-transfer excitation based on SAC-CI and TD-DFT calculationsMasahiro Ehara, Ryoichi Fukuda, Carlo Adamo, et al.Scientific Reports|January 5, 2024
Investigation of the Suzuki-Miyaura cross-coupling reaction on a palladium H-beta zeolite with DFT calculationsBundet Boekfa, Thana Maihom, Masahiro Ehara, et al.The Journal of Chemical Physics|January 28, 2006
Electronic spectra and photodissociation of vinyl chloride: a symmetry-adapted cluster configuration interaction studySundaram Arulmozhiraja, Ryoichi Fukuda, Masahiro Ehara, et al.Pageof 17