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"Theoretical study of Ng-NiCO(Ng=Ar,Ne,He)"
Yuriko Ono and Tetsuya Taketsugu
Chem.Phys.Lett.,385,85-91(2004).
"Simple and accurate method to evaluate tunneling splitting in polyatomic molecules"
Gennady V.Mil'nikov,Kiyoshi Yagi,Tetsuya Taketsugu,Hiroki Nakamura,and Kimihiko Hirao
J.Chem.Phys.,120,5036-5045(2004).
"An ab initio study on tunneling splittings in the water dimer"
Yumiko Watanabe,Tetsuya Taketsugu,and David J.Wales
J.Chem.Phys.,120,5993-5999(2004).
"Theoretical study of Ng-NiN2(Ng=Ar,Ne,He)"
Yuriko Ono and Tetsuya Taketsugu
J.Chem.Phys.,120,6035-6040(2004).
"Ab initio direct trajectory simulation with nonadiabatic transitions on the dissociative recombination reaction
of HCNH++e-→HNC/HCN+H"
Tetsuya Taketsugu,Asami Tajima,Keisaku Ishii,and Tsuneo Hirano
Astrophys.J.,608,323-329(2004).
"The effect of spin-orbit couplingon fast neutral chemical reaction O(3P)+CH3→CH3O"
Kiyoshi Yagi,Toshiyuki Takayanagi,Tetsuya Taketsugu and Kimihiko Hirao
J.Chem.Phys.,120,10395-10403(2004).
"Theoretical study of Ar-CoCO"
Yuriko Ono and Tetsuya Taketsugu
J.Phys.Chem.A,108,5464-5467(2004).
"The effect of Fluorination:A crystallographic and computational study on mesogenic alky1
4-[2-(Perfluorooctyl)ethoxy]benzoates"
Megumi Yano,Tetsuya Taketsugu,Kayako Hori,Hiroaki Okamoto,and Shunsuke Takenaka
Eur.J.Chem.,10,3991-3999(2004).
"Ab initio vibrational state calculations with quartic force field:Applications to H2CO,C2H4,CH3OH,CH3CCH,and
C6H6"
Kiyoshi Yagi,Kimihiko Hirao,Tetsuya Taketsugu,Michael W.Schmidt,and Mark S.Gordon,
J.Chem.Phys.,121,1383-1389(2004).
"Kinetic measurements for the reactions of ozone with crotonaldehyde and its methyl derivatives and calculations of
transition-state theory"
Kei Sato,Bjorn Klotz,Tetsuya Taketsugu,and Toshiyuki Takayanagi
Phys.Chem.Chem.Phys.,6,3969-3976(2004).
"Effect of out-of-plane vibration on the hydrogen atom transfer reaction in malonaldehyde"
Kiyoshi Yagi,Gennady V.Mil'nikov,Tetsuya Taketsugu,Kimihiko Hirao,and Hiroki Nakamura
Chem.Phys.Lett.,397,435-440(2004).
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