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Udagawa, Taro, Ishimoto, Takayoshi, Tachikawa, Masanori (2014) H/D isotope effect on structures, binding energies, and basis set superposition errors in F−(H2O)n (n=1–3) clusters. Chemical Physics, 441. 101-108 doi:10.1016/j.chemphys.2014.07.014

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Reference TypeJournal (article/letter/editorial)
TitleH/D isotope effect on structures, binding energies, and basis set superposition errors in F−(H2O)n (n=1–3) clusters
JournalChemical Physics
AuthorsUdagawa, TaroAuthor
Ishimoto, TakayoshiAuthor
Tachikawa, MasanoriAuthor
Year2014 (September)Volume441
PublisherElsevier BV
DOIdoi:10.1016/j.chemphys.2014.07.014Search in ResearchGate
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Mindat Ref. ID5963776Long-form Identifiermindat:1:5:5963776:3
GUID0
Full ReferenceUdagawa, Taro, Ishimoto, Takayoshi, Tachikawa, Masanori (2014) H/D isotope effect on structures, binding energies, and basis set superposition errors in F−(H2O)n (n=1–3) clusters. Chemical Physics, 441. 101-108 doi:10.1016/j.chemphys.2014.07.014
Plain TextUdagawa, Taro, Ishimoto, Takayoshi, Tachikawa, Masanori (2014) H/D isotope effect on structures, binding energies, and basis set superposition errors in F−(H2O)n (n=1–3) clusters. Chemical Physics, 441. 101-108 doi:10.1016/j.chemphys.2014.07.014
In(n.d.) Chemical Physics Vol. 441. Elsevier BV

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Udagawa, Taro, Tachikawa, Masanori (2016) Nuclear quantum effect and H/D isotope effect on F + (H2O)n → FH + (H2O)n−1OH (n = 1-3) reactions. The Journal of Chemical Physics, 145 (16). 164310pp. doi:10.1063/1.4966162
Sugiura, Keita, Tachikawa, Masanori, Udagawa, Taro (2018) Nuclear quantum effect and H/D isotope effect on Cl· + (H2O)n → HCl + OH·(H2O)n−1 (n = 1–3) reactions. RSC Advances, 8 (31). 17191-17201 doi:10.1039/c8ra02679c
Ishimoto, Takayoshi, Sakagami, Hiroki, Kanematsu, Yusuke, Tachikawa, Masanori (2021) H/D isotope effect between adsorbed water (H2O, D2O, and HDO) and H2O- and D2O-ice Ih(0 0 0 1) basal surfaces based on the combined plane wave and localized basis set method. Applied Surface Science, 561. 150100pp. doi:10.1016/j.apsusc.2021.150100
Kita, Yukiumi, Tachikawa, Masanori (2009) Positron binding properties for F−(H2O)n and Cl−(H2O)n (n=0–3) clusters. Chemical Physics Letters, 482. 201-206 doi:10.1016/j.cplett.2009.09.108
Udagawa, Taro, Kanematsu, Yusuke, Ishimoto, Takayoshi, Tachikawa, Masanori (2025) Comprehensive Analysis of Deuterium Isotope Effects on Ionic H3O+…π Interactions Using Multi‐Component Quantum Mechanics Methods. Journal of Computational Chemistry, 46 (1). doi:10.1002/jcc.70000
Inoue, Mana, Ishimoto, Takayoshi, Rivera Rocabado, David S, Udagawa, Taro, Tachikawa, Masanori, Baba, Masaaki, Kanematsu, Yusuke (2025) Applicability of multicomponent quantum mechanical calculations for H/D isotope effects in electronic absorption spectra. Chemistry Letters, 54 (2). doi:10.1093/chemle/upaf031
Udagawa, Taro, Ishimoto, Takayoshi, Tokiwa, Hiroaki, Tachikawa, Masanori, Nagashima, Umpei (2006) Geometric Isotope Effect of Various Intermolecular and Intramolecular C−H···O Hydrogen Bonds, Using the Multicomponent Molecular Orbital Method. The Journal of Physical Chemistry A, 110 (22). 7279-7285 doi:10.1021/jp0615656
Udagawa, Taro, Tachikawa, Masanori (2006) H∕D isotope effect on porphine and porphycene molecules with multicomponent hybrid density functional theory. The Journal of Chemical Physics, 125 (24). 244105pp. doi:10.1063/1.2403857
Udagawa, Taro, Shibata, Haruya, Tachikawa, Masanori (2024) Significant nuclear quantum effect of proton in the reaction of phenol and hydroxyl radical. Chemical Physics, 581. 112258 doi:10.1016/j.chemphys.2024.112258
Ishida, Yusuke, Funahashi, Haruki, Tachikawa, Masanori, Udagawa, Taro (2020) Geometrical H/D Isotope Effect of Blue-shifting Dihydrogen-bonded Clusters. Chemistry Letters, 49 (6) 745-748 doi:10.1246/cl.200198
Kikuta, Yoko, Ishimoto, Takayoshi, Nagashima, Umpei (2008) Deuterium-substituted water–ammonia mixed trimer clusters, (H2O)n−3(NH3)n (n=0,1,2,3): Interaction energy, hydrogen bond structures, and Mulliken population. Chemical Physics, 354. 218-224 doi:10.1016/j.chemphys.2008.10.027
 
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