Systematic elucidation of the second coordination sphere effect on the structure and properties of a blue copper protein, pseudoazurin
Takahide Yamaguchi , Attila Taborosi , Chihiro Sakai, Kohei Akao, Seiji Mori, Takamitsu Kohzuma
Journal of Inorganic Biochemistry, Sep. 2023
Lead

Development of molecular cluster models to probe pyrite surface reactivity
Manjinder Kour, Attila Taborosi, Eric S. Boyd, Robert K. Szilagyi
Journal of Computational Chemistry, Aug. 2023
Lead

Theoretical Investigations of Palladium-Catalyzed [3+2] Annulation via Benzylic and meta C−H Bond Activation
Rie Yoshimoto, Attila Taborosi, Qiyuan He, Yusuke Ano, Naoto Chatani, Seiji Mori
Chemistry–An Asian Journal, Aug. 2023
Lead

Electrolyte adsorption study on the different types of layered cathode surfaces of lithium-ion batteries with computational chemistry methods
Attila Taborosi, Michihisa Koyama, Nobuyuki Zettsu
The 104th CSJ Annual Meeting, 19 Mar. 2024

Characterization of the molecular level structure and interactions of different types of alkyl sulfonated polyimide with universal neural network potential
Attila Taborosi, Michihisa Koyama, Yuki Nagao, Nobuyuki Zettsu
The 13th SPSJ International Polymer Conference, 20 Jul. 2023