| 76 |
Taro Udagawa*, Haruya Shibata, Masanori Tachikawa |
|
accepted for publication in Chemical Physics |
|
Significant nuclear quantum effect of proton in the reaction of phenol and hydroxyl radical |
|
|---|
| 75 |
Yohei Miwa*, Rina Takahashi, Taro Udagawa, Kei Hashimoto, Shoichi Kutsumizu |
|
accepted for publication in Polymer Journal |
|
Effect of Mg2+ ratio on mechanical and self-healing properties of polyisoprene ionomer co-neutralized with Na+ and Mg2+ |
|
|---|
| 74 |
Taro Udagawa*, Hikaru Tanaka, Kazuaki Kuwahata, Masanori Tachikawa* |
|
accepted for publication in The Journal of Physical Chemistry A |
|
Location of the shared proton in proton-bound dimer compound of hydrogen sulfate and formate: path integral molecular dynamics study |
| 73 |
Takumi Kariya, Hayato Hasegawa, Taro Udagawa, Yusaku Inada, Kyoko Nishiyama, Mieko Tsuji, Tasuku Hirayama, Tatsuo Suzutani, Naoki Kato, Shingo Nagano, Hideko Nagasawa* |
|
RSC Advances, 13, 27828-27838 |
|
Elucidation of the stereocontrol mechanisms of the chemical and biosynthetic intramolecular Diels-Alder cycloaddition for the formation of bioactive decalins |
|
|---|
| 72 |
Yoshinari Sawama*, Hyoga Shimizu, Takaaki Aijima, Taro Udagawa, Shoko Kuwata, Tsuyoshi Yamada, Hironao Sajiki, Shuji Akai |
|
Chemical and Pharmaceutical Bulletin, 71, 782-786 |
|
Oxidative functionalization of catechol derivatives substituted with electron-withdrawing groups |
|
|---|
| 71 |
Yuki Kawase, Shoichi Kutsumizu*, Taro Udagawa, Yohei Miwa, Yasuhisa Yamamura, Kazuya Saito |
|
Physical Chemistry Chemical Physics, 25, 19891-19898 |
|
Room-temperature Ia3d phase obtained for the binary mixture containing different sizes of siloxanyl terminals |
|
|---|
| 70 |
Taro Udagawa*, Hinata Yabushita, Hikaru Tanaka, Kazuaki Kuwahata, Masanori Tachikawa |
|
Physical Chemistry Chemical Physics, 25, 15798-15806 |
|
Nuclear quantum and H/D isotope effects on intramolecular hydrogen bond in curcumin |
|
|---|
| 69 |
Mieko Tsuji*, Haruno Taira, Taro Udagawa, Tatsuya Aoki, Tasuku Hirayama, Hideko Nagasawa* |
|
Chemical Communications, 59, 6706-6709 |
|
Synthesis and photochemical properties of caged peroxides for photocontrol of cellular oxidative stress |
|
|---|
| 68 |
Tsuyoshi Asano, Taro Udagawa, Naoko Komura, Akihiro Imamura, Hideharu Ishida, Hiromune Ando, Hide-Nori Tanaka* |
|
Carbohydrate Research, 527, 108808 |
|
Unprecedented neighboring group participation of C2 N-imidoxy functionalities for 1,2-trans-selective glycosylation |
|
|---|
| 67 |
Hiroaki Hagiwara*, Tomoe Matsuyama, Taro Udagawa |
|
Crystal Growth & Design, 23, 1622-1632 |
|
Solvent coligand-induced spin state variation in iron(II) complexes bearing pentadentate N5 ligand towards the construction of an N5O spin crossover center |
|
|---|
| 66 |
Taro Udagawa*, Hikaru Tanaka, Tsuneo Hirano, Kazuaki Kuwahata, Masanori Tachikawa, Masaaki Baba, Umpei Nagashima |
|
The Journal of Physical Chemistry A, 127, 894-901 |
|
Direct elucidation of the vibrationally averaged structure of benzene: a path integral molecular dynamics study |
| 65 |
Rikuo Hayashi, Kaori Ando, Taro Udagawa, Masahiro Sai* |
|
Advanced Synthesis & Catalysis, 365, 826-833 |
|
β-Functionalized and α,β-difunctionalized ketones from 1-arylallylic alcohols via dipotassio α,β-dianion intermediates |
|
|---|
| 64 |
Yoshinari Sawama*, Shoko Kuwata, Miyu Mae, Taro Udagawa, Shuji Akai, Hironao Sajiki |
|
Chemical Communications, 58, 12935-12938 |
|
Oxidative two-way regiocontrolled coupling of 3-methoxycarbonylcatechol and indoles to arylindoles |
|
|---|
| 63 |
Kazumasa Funabiki*, Kengo Yamada, Yuta Arisawa, Arina Watanabe, Tomohiro Agou, Yasuhiro, Kubota, Toshiyasu Inuzuka, Yohei Miwa, Taro Udagawa, Shoichi Kutsumizu |
|
The Journal of Organic Chemistry, 87, 11751-11765 |
|
Design, regioselective synthesis, and photophysical properties of perfluoronaphthalene-based donor–acceptor–donor fluorescent dyes |
|
|---|
| 62 |
Yohei Miwa*, Taro Udagawa, Shoichi Kutsumizu |
|
Scientific Reports, 12, 12009 |
|
Repulsive segregation of fluoroalkyl side chains turns a cohesive polymer into a mechanically tough, ultrafast self-healable, nonsticky elastomer |
|
※岐阜大学プレスリリース |
|
※PRWireプレスリリース |
|
|---|
| 61 |
Yohei Miwa*, Koki Hasegawa, Taro Udagawa, Yu Shinke, Shoichi Kutsumizu* |
|
Physical Chemistry Chemical Physics, 24, 17042-17049 |
|
Effect of alkali metal cations on network rearrangement in polyisoprene ionomers |
|
This paper is selected as a 2022 PCCP HOT article! |
|
|---|
| 60 |
Taro Udagawa*, Amane Kinoshita, Kazuaki Kuwahata, Masanori Tachikawa |
|
Physical Chemistry Chemical Physics, 24, 17295-17302 |
|
A path integral molecular dynamics study on the NH4+ rotation in NH4+...XH2 (X = Be or Mg) dihydrogen bond systems |
|
|---|
| 59 |
Moeko Itoga, Masako Yamanishi, Taro Udagawa, Yoshiji Takemoto, Hiroshi Naka* |
|
Chemical Science, 13, 8744-8751 |
|
Iridium-catalyzed α-selective deuteration of alcohols |
|
※岐阜大学プレスリリース |
|
※PRWireプレスリリース |
|
|---|
| 58 |
Taro Udagawa*, Ikumi Hattori, Yusuke Kanematsu, Takayoshi Ishimoto, Masanori Tachikawa |
|
International Journal of Quantum Chemistry, 122, e26962 |
|
Nuclear quantum effect and H/D isotope effect in excited state intramolecular proton transfer and electron-induced intramolecular proton transfer reactions in 8-hydroxyquinoline |
|
|---|
| 57 |
Hikaru Tanaka, Kazuaki Kuwahata, Masanori Tachikawa*, Taro Udagawa* |
|
ACS Omega, 7, 14244-14251 |
|
Low-barrier hydrogen bond in Fujikurin A-D: A computational study |
|
|---|
| 56 |
Akari Kawajiri, Taro Udagawa, Mao Minoura, Toshiaki Murai* |
|
ChemistryOpen, 11, e202100294 |
|
Stereoselective transesterification of P-chirogenic hydroxybinaphthyl phosphinates |
|
|---|
| 55 |
Taro Udagawa*, Kazuaki Kuwahata, Masanori Tachikawa* |
|
Computational and Theoretical Chemistry, 1208, 113542 |
|
Competitive nuclear quantum effect and H/D isotope effect on torsional motion of H2O2: an ab initio path integral molecular dynamics study |
| 54 |
Shoichi Kutsumizu*, Akane Kawafuchi, Yasuhisa Yamamura, Taro Udagawa, Takashi Otaki, Masaki Masuda, Yohei Miwa, Kazuya Saito |
|
Chemstry - A European Journal, 27, 10293-10302 |
|
Stabilization of bicontinuous cubic phase and its two-sided nature produced by use of siloxane tails and introduction of molecular nonsymmetry |
|
|---|
| 53 |
Taro Udagawa*, Rhys B. Murphy, Tamim A. Darwish, Masanori Tachikawa*, Seiji Mori* |
|
Bulletin of the Chemical Society of Japan, 94, 1954-1962 |
|
H/D isotope effects in keto-enol tautomerism of β-dicarbonyl compounds -Importance of nuclear quantum effects of hydrogen nuclei- |
|
|---|
| 52 |
Nuttapon Yodsin, Hiroki Sakagami, Taro Udagawa, Takayoshi Ishimoto, Siriporn Jungsuttiwong*, Masanori Tachikawa* |
|
Molecular Catalysis, 504, 111486 |
|
Metal-doped carbon nanocones as highly efficient catalysts for hydrogen storage: Nuclear quantum effect on hydrogen spillover mechanism |
| 51 |
Haruki Funahashi, Masanori Tachikawa, Taro Udagawa* |
|
Organic Letters, 22, 9439-9443 |
|
(This work is selected as a supplementary cover picture!) |
|
|
Determining if reaction selectivity can be controlled by the H/D isotope effect in CH...O interactions |
|
|---|
| 50 |
Yukari Ono, Masayuki Ninomiya, Daiki Kaneko, Amol D. Sonawane, Taro Udagawa, Kaori Tanaka, Atsuyoshi Nishina, Mamoru Koketsu* |
|
Bioorganic Chemistry, 104, 104245 |
|
Design and synthesis of quinoxaline-1,3,4-oxadiazole hybrid derivatives as potent inhibitors of the anti-apoptotic Bcl-2 protein |
|
|---|
| 49 |
Hiroaki Hagiwara*, Ryo Minoura, Taro Udagawa, Ko Mibu, Jun Okabayashi |
|
Inorganic Chemistry, 59, 9866-9880 |
|
Alternative route triggering multistep spin crossover with hysteresis in an iron(II) family mediated by flexible anion ordering |
|
|---|
| 48 |
Amol D. Sonawane, Atsushi Shimozuma, Taro Udagawa, Masayuki Ninomiya, Mamoru Koketsu* |
|
Organic & Biomolecular Chemistry, 18, 4063-4070 |
|
Synthesis and photophysical properties of selenopheno[2,3-b]quinoxaline and selenopheno[2,3-b]pyrazine heteroacenes |
|
|---|
| 47 |
Akane Kawafuchi, Shoichi Kutsumizu*, Yuki Kawase, Issei Tokiwa, Taro Udagawa, Yohei Miwa |
|
Physical Chemistry Chemical Physics, 22, 10132-10141 |
|
Molecular design of anti-spindle-like molecules by use of siloxanyl terminals for a thermotropic bicontinuous cubic phase |
|
|---|
| 46 |
Yusuke Ishida, Haruki Funahashi, Masanori Tachikawa, Taro Udagawa* |
|
Chemistry Letters, 49, 745-748 |
|
Geometrical H/D isotope effect of blue-shifting dihydrogen-bonded clusters |
|
|---|
| 45 |
Regina Akemi Iwaki, Taro Udagawa* |
|
Chemical Physics Letters, 745, 137271 |
|
Effect of heteratoms on aromaticity analyzed by geometric, magnetic, and electronic criteria |
|
|---|
| 44 |
Yohei Miwa*, Junosuke Kurachi, Yusuke Sugino, Taro Udagawa, Shoichi Kutsumizu |
|
Soft Matter, 16, 3384-3394 |
|
(This work is selected as a cover picture!) |
|
|
Toward strong self-healing polyisoprene elastomers with dynamic ionic crosslinks |
|
|---|
| 43 |
Masaaki Baba*, Ayumi Kanaoka, Akiko Nishiyama, Masatoshi Misono, Takayoshi Ishimoto, Taro Udagawa |
|
Chinese Journal of Chemical Physics, 33, 8-12 |
|
Large amplitude motion in 9-methylanthracene: High-resolution spectroscopy and Ab initio theoretical calculation |
| 42 |
Natsumi Suematsu, Masayuki Ninomiya, Hodaka Sugiyama, Taro Udagawa, Kaori Tanaka, Mamoru Koketsu* |
|
Bioorganic & Medicinal Chemistry Letters, 29, 2243-2247 |
|
Synthesis of carbazoloquinone derivatives and their antileukemic activity via modulating cellular reactive oxygen species |
|
|---|
| 41 |
Tomoe Matsuyama, Keishi Nakata, Hiroaki Hagiwara*, Taro Udagawa |
|
Crystals, 9, 276 |
|
Iron(II) spin crossover complex with the 1,2,3-triazole-containing linear pentadentate Schiff-base ligand and the MeCN monodentate ligand |
|
|---|
| 40 |
Junko Fujimoto, Sari Hayashi, Hideyuki Kainuma, Kazuhiro Manseki, Taro Udagawa, Hidekazu Miyaji* |
|
Chemistry - An Asian Journal, 14, 2567-2572 |
|
(This work is selected as a cover picture!) |
|
|
Supramolecular light-harvesting antennas of metal-coordinated bis(8-hydroxyquinoline)-substituted porphyrin networks |
|
|---|
| 39 |
Naoko Komura, Keiichi Kato, Taro Udagawa, Sachi Asano, Hide-Nori Tanaka, Akihiro Imamura, Hideharu Ishida, Makoto Kiso, Hiromune Ando* |
|
Science, 364, 677-680 |
|
Constrained sialic acid donors enable selective synthesis of α-glycosides |
|
※岐阜大学プレスリリース |
|
|---|
| 38 |
Yohei Miwa*, Kenjiro Taira, Junosuke Kurachi, Taro Udagawa, Shoichi Kutsumizu |
|
Nature Communications, 10, 1828 |
|
A gas-plastic elastomer that quickly self-heals damage with the aid of CO2 gas |
|
※岐阜大学プレスリリース |
|
|---|
| 37 |
Hideya Sugimoto, Masanori Tachikawa, Taro Udagawa* |
|
International Journal of Quantum Chemistry, 119, e25895 |
|
(This work is selected as a cover picture!) |
|
|
Multicomponent QM study on the reaction of HOSO + NO2 with H2O: Nuclear quantum effect on structure and reaction energy profile |
|
|---|
| 36 |
Rina Ishibashi, Masanori Tachikawa, Taro Udagawa* |
|
Bulletin of the Chemical Society of Japan, 92, 592-599 |
|
Theoretical study on hydrogen-tritium exchange reactions between several organic and HTO molecules: A multicomponent DFT study |
| 35 |
Amol D. Sonawane, Dinesh R. Garud, Taro Udagawa, Yasuhiro Kubota, Mamoru Koketsu* |
|
New Journal of Chemistry, 42, 15315-15324 |
|
Synthesis of thieno[2,3-c]acridine and furo[2,3-c]acridine derivatives via iodocyclization reaction, fluorescence properties and DFT mechanistic study |
|
|---|
| 34 |
Keita Sugiura, Masanori Tachikawa, Taro Udagawa* |
|
RSC Advances, 8, 17191-17201 |
|
Nuclear quantum effect and H/D isotope effect on Cl• + (H2O)n → HCl + OH•(H2O)n-1 (n = 1-3) reactions |
|
|---|
| 33 |
Fumitoshi Shibahara*, Masafumi Suzuki, Saki Kubota, Tomoki Fukunaga, Taro Udagawa, Toshiaki Murai |
|
The Journal of Organic Chemistry, 83, 3078-3089 (Featured Article) |
|
Selenolactams as synthetic intermediates for the synthesis of polycyclic amines via seleno-Claisen rearrangements |
|
|---|
| 32 |
Shoichi Kutsumizu*, Yutaro Yamada, Tadashi Sugimoto, Nina Yamada, Taro Udagawa, Yohei Miwa |
|
Physical Chemistry Chemical Physics, 20, 7953-7961 |
|
Systematic exploitation of thermotropic bicontinuous cubic phase families from 1,2-bis(aryloyl)hydrazine-based molecules |
|
|---|
| 31 |
Taro Udagawa*, Masanori Tachikawa |
|
RSC Advances, 8, 3878-3888 |
|
Reaction mechanism of hydrogen-tritium exchange reactions between several organic and HTO molecules: A role of the second HTO |
|
|---|
| 30 |
Amol D. Sonawane, Dinesh R. Garud, Taro Udagawa, Mamoru Koketsu* |
|
Organic & Biomolecular Chemistry, 16, 245-255 |
|
Synthesis of thieno[2,3–b]quinoline and selenopheno[2,3–b]quinoline derivatives via iodocyclization reaction and a DFT mechanistic study |
| 29 |
Hiroaki Hagiwara*, Takuya Masuda, Takuya Ohno, Mika Suzuki, Taro Udagawa, Kei-ichiro Murai |
|
Crystal Growth & Design, 17, 6006-6019 |
|
Neutral molecular iron(II) complexes showing tunable bistability at above, below and just room temperature by crystal engineering approach: Ligand mobility into 3D flexible supramolecular network |
|
|---|
| 28 |
Nahoko Yagami, Hideki Tamai, Taro Udagawa, Akiharu Ueki, Miku Konishi, Akihiro Imamura, Hideharu Ishida*, Makoto Kiso, Hiromune Ando* |
|
European Journal of Organic Chemistry, 2017, 4778-4785 |
|
A 1,2-trans-selective glycosyl donor bearing cyclic protection at the C2 and C3 hydroxyl groups |
|
|---|
| 27 |
Taro Udagawa*, Keita Sugiura, Kimichi Suzuki, Masanori Tachikawa* |
|
RSC Advances, 7, 9328-9337 |
|
Unusual H/D isotope effect in isomerization and keto-enol tautomerism reactions of pyruvic acid: Nuclear quantum effect restricts some rotational isomerization reactions |
| 26 |
Taro Udagawa*, Masanori Tachikawa |
|
The Journal of Chemical Physics, 145, 164310 |
|
Nuclear quantum effect and H/D isotope effect on F + (H2O)n → FH + (H2O)n-1OH (n = 1-3) reactions |
|
|---|
| 25 |
Akihiro Imamura*, Naomi Matsuzawa, Shizuo Sakai, Taro Udagawa, Shinya Nakashima, Hiromune Ando, Hideharu Ishida, Makoto Kiso* |
|
The Journal of Organic Chemistry, 81, 9086-9104 |
|
The origin of high stereoselectivity in the di-tert-butylsiylene-directed α-galactosylation |
|
|---|
| J1 |
宇田川 太郎*, 常田 貴夫, 立川 仁典 |
|
Journal of Computer Chemistry, Japan, 15, 143-147 |
|
多成分密度汎関数理論のための電子-核相関汎関数の開発 |
|
|---|
| 24 |
Naoaki Kiriyama, Masahiro Ebihara, Taro Udagawa, Hidekazu Miyaji* |
|
RSC Advances, 6, 19794-19796 |
|
Self-organization of dipyridylcalix[4]pyrrole into the supramolecular cage for dicarboxylates |
|
|---|
| 23 |
Marina Hashimoto, Takayoshi Ishimoto, Masanori Tachikawa*, Taro Udagawa* |
|
International Journal of Quantum Chemistry, 116, 961-970 |
|
(This work is selected as a cover picture!) |
|
|
Analysis of exponent values of Gaussian-type functions on quantum protons and deuterons in charged or polarized systems |
| 18 |
Taro Udagawa*, Takayoshi Ishimoto, Masanori Tachikawa |
|
Chemical Physics, 441, 101-108 |
|
H/D isotope effect on structures, binding energies, and basis set superposition errors in F-(H2O)n (n = 1-3) clusters |
|
|---|
| 17 |
Taro Udagawa, Takao Tsuneda, Masanori Tachikawa* |
|
Physical Review A, 89, 052519 |
|
Electron-nucleus correlation functional for multicomponent density-functional theory |
|
|---|
| 16 |
Yohei Miwa*, Taro Udagawa, Osamu Urakawa, Shogo Nobukawa, Shoichi Kutsumizu |
|
ACS Macro Letters, 3, 126-129 |
|
Rapid stretching vibration at the polymer end |
|
|---|
| 15 |
Taro Udagawa*, Masanori Tachikawa |
|
Journal of Computational Chemistry, 35, 271-274 |
|
(This work is selected as a cover picture!) |
|
|
Why is N...Be distance of NH3H+...DBeH shorter than that of NH3D+...HBeH? paradoxical geometrical isotope effects for partially isotope-substituted dihydrogen-bonded isotopomers |
| 9 |
Shogo Sakai*, Taro Udagawa, Yuki Kita |
|
The Journal of Physical Chemistry A, 113, 13964-13971 |
|
Theoretical studies on the structures and the aromaticity for condensed cyclobutadienoids series: The combination of Kekule structures |
|
|---|
| 8 |
Yukiumi Kita, Taro Udagawa, Masanori Tachikawa* |
|
Chemistry Letters, 38, 1156-1157 |
|
Nuclear quantum effect on molecular magnetic properties for low barrier hydrogen-bonded systems based on multicomponent density functional theory |
|
|---|
| 7 |
Ling Lin, Yuki Kita, Taro Udagawa, Shogo Sakai*, Minh Tho Nguyen* |
|
Chemical Physics Letters, 476, 236-239 |
|
Electronic structure of the mixed aluminum and sodium cluster Al2Na |
|
|---|
| 6 |
Taro Udagawa, Masanori Tachikawa* |
|
Journal of Molecular Structure: THEOCHEM, 912, 63-66 |
|
Theoretical analysis of H/D geometric isotope effect on adenine-thymine-base pair using multi-component molecular orbital method |
|
|---|
| 5 |
Masahito Tada, Takehiro Nagasima, Taro Udagawa, Masanori Tachikawa, Hideaki Sugawara* |
|
Journal of Molecular Structure: THEOCHEM, 897, 149-153 |
|
Ab initio fragment molecular orbital (FMO) analysis of the structure of the phosphoinositide-binding peptide from gelsolin |
