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Journal of Computational Chemistry
|
July 8, 2011
Ab initio molecular dynamics of protonated water clusters by integrated multicenter molecular-orbital method
Taro Udagawa, Shogo Sakai
Journal of Computational Chemistry
|
December 11, 2013
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
Taro Udagawa, Masanori Tachikawa
RSC Advances
|
May 11, 2022
Reaction mechanism of hydrogen-tritium exchange reactions between several organic and HTO molecules: a role of the second HTO
Taro Udagawa, Masanori Tachikawa
Journal of Computational Chemistry
|
July 1, 2015
H/D isotope effect on charge-inverted hydrogen-bonded systems: Systematic classification of three different types in H3XH···YH3 (X = C, Si, or Ge, and Y = B, Al, or Ga) with multicomponent calculation
Taro Udagawa, Masanori Tachikawa
The Journal of Chemical Physics
|
January 4, 2007
H/D isotope effect on porphine and porphycene molecules with multicomponent hybrid density functional theory
Taro Udagawa, Masanori Tachikawa
The Journal of Chemical Physics
|
November 3, 2016
Nuclear quantum effect and H/D isotope effect on F + (H<sub>2</sub>O)<sub>n</sub> → FH + (H<sub>2</sub>O)<sub>n-1</sub>OH (n = 1-3) reactions
Taro Udagawa, Masanori Tachikawa
RSC Advances
|
May 11, 2022
Nuclear quantum effect and H/D isotope effect on Cl· + (H<sub>2</sub>O) <sub></sub> → HCl + OH·(H<sub>2</sub>O) <sub></sub> (<i>n</i> = 1-3) reactions
Keita Sugiura, Masanori Tachikawa, Taro Udagawa
The Journal of Physical Chemistry. A
|
December 17, 2009
Theoretical studies on the structures and the aromaticity for condensed cyclobutadienoids series: the combination of Kekulé structures
Shogo Sakai, Taro Udagawa, Yuki Kita
Scientific Reports
|
July 25, 2022
Repulsive segregation of fluoroalkyl side chains turns a cohesive polymer into a mechanically tough, ultrafast self-healable, nonsticky elastomer
Yohei Miwa, Taro Udagawa, Shoichi Kutsumizu
Molecules (Basel, Switzerland)
|
May 9, 2013
Theoretical study of H/D isotope effects on nuclear magnetic shieldings using an ab initio multi-component molecular orbital method
Taro Udagawa, Takayoshi Ishimoto, Masanori Tachikawa
Page
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Search research articles
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Showing results (1-10 of 60) with videos related to
Sort By:
Page
of 6
Journal of Computational Chemistry
|
July 8, 2011
Ab initio molecular dynamics of protonated water clusters by integrated multicenter molecular-orbital method
Taro Udagawa, Shogo Sakai
Journal of Computational Chemistry
|
December 11, 2013
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
Taro Udagawa, Masanori Tachikawa
RSC Advances
|
May 11, 2022
Reaction mechanism of hydrogen-tritium exchange reactions between several organic and HTO molecules: a role of the second HTO
Taro Udagawa, Masanori Tachikawa
Journal of Computational Chemistry
|
July 1, 2015
H/D isotope effect on charge-inverted hydrogen-bonded systems: Systematic classification of three different types in H3XH···YH3 (X = C, Si, or Ge, and Y = B, Al, or Ga) with multicomponent calculation
Taro Udagawa, Masanori Tachikawa
The Journal of Chemical Physics
|
January 4, 2007
H/D isotope effect on porphine and porphycene molecules with multicomponent hybrid density functional theory
Taro Udagawa, Masanori Tachikawa
The Journal of Chemical Physics
|
November 3, 2016
Nuclear quantum effect and H/D isotope effect on F + (H<sub>2</sub>O)<sub>n</sub> → FH + (H<sub>2</sub>O)<sub>n-1</sub>OH (n = 1-3) reactions
Taro Udagawa, Masanori Tachikawa
RSC Advances
|
May 11, 2022
Nuclear quantum effect and H/D isotope effect on Cl· + (H<sub>2</sub>O) <sub></sub> → HCl + OH·(H<sub>2</sub>O) <sub></sub> (<i>n</i> = 1-3) reactions
Keita Sugiura, Masanori Tachikawa, Taro Udagawa
The Journal of Physical Chemistry. A
|
December 17, 2009
Theoretical studies on the structures and the aromaticity for condensed cyclobutadienoids series: the combination of Kekulé structures
Shogo Sakai, Taro Udagawa, Yuki Kita
Scientific Reports
|
July 25, 2022
Repulsive segregation of fluoroalkyl side chains turns a cohesive polymer into a mechanically tough, ultrafast self-healable, nonsticky elastomer
Yohei Miwa, Taro Udagawa, Shoichi Kutsumizu
Molecules (Basel, Switzerland)
|
May 9, 2013
Theoretical study of H/D isotope effects on nuclear magnetic shieldings using an ab initio multi-component molecular orbital method
Taro Udagawa, Takayoshi Ishimoto, Masanori Tachikawa
Page
of 6