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ACS Physical Chemistry Au|September 30, 2024
Prominent Role of Charge Transfer in the Spectral Tuning of Photosynthetic Light-Harvesting I ComplexKazuhiro J Fujimoto, Rio Tsuji, Zheng-Yu Wang-Otomo, et al.The Journal of Physical Chemistry Letters|March 26, 2026
Ca2+-Driven Protein Compaction Tunes NIR Absorption in the Thermophilic Purple Bacterial LH1Kazuhiro J Fujimoto, Rio Tsuji, Zheng-Yu Wang-Otomo, et al.Journal of Chemical Theory and Computation|February 28, 2020
Combination of a Voronoi-Type Complex Absorbing Potential with the XMS-CASPT2 Method and Pilot ApplicationsQuan Manh Phung, Yuki Komori, Takeshi Yanai, et al.Inorganic Chemistry|January 23, 2025
NO Oxidation States in Nonheme Iron Nitrosyls: A DMRG-CASSCF Study of {FeNO}6-10 ComplexesQuan Manh Phung, Ho Ngoc Nam, Vic Austen, et al.Journal of Chemical Information and Modeling|January 2, 2026
Osimertinib's Proton-Catalyzed, Pseudoconcerted EGFR Inhibition Guides Next-Generation Inhibitor DesignAkihiro Kondo, Kazuhiro J Fujimoto, Shin-Ichi Koda, et al.The Journal of Chemical Physics|July 23, 2004
Third-order Douglas-Kroll relativistic coupled-cluster theory through connected single, double, triple, and quadruple substitutions: applications to diatomic and triatomic hydridesSo Hirata, Takeshi Yanai, Wibe A de Jong, et al.The Journal of Chemical Physics|January 19, 2007
High-order electron-correlation methods with scalar relativistic and spin-orbit correctionsSo Hirata, Takeshi Yanai, Robert J Harrison, et al.The Journal of Physical Chemistry. A|April 27, 2021
Lifetimes of Be32- and Mg32- Cluster DianionsJeremy U Davis, Quan Manh Phung, Takeshi Yanai, et al.The Journal of Chemical Physics|October 12, 2004
Multiresolution quantum chemistry in multiwavelet bases: Hartree-Fock exchangeTakeshi Yanai, George I Fann, Zhenting Gan, et al.The Journal of Chemical Physics|January 7, 2005
Multiresolution quantum chemistry: basic theory and initial applicationsRobert J Harrison, George I Fann, Takeshi Yanai, et al.Pageof 29