Dissociative electron capture of halocarbon caused by the internal electron transfer from water trimer anionTACHIKAWA, Hiroto.PCCP. Physical chemistry chemical physics (Print). 2008, Vol 10, Num 16, pp 2200-2206, issn 1463-9076, 7 p.Article

Full dimensional ab-initio dynamics calculations of electron capture processes by the H₃O⁺ ionTACHIKAWA, Hiroto.PCCP. Physical chemistry chemical physics (Print). 2000, Vol 2, Num 19, pp 4327-4333, issn 1463-9076Article

Mechanism of Dissolution of a Lithium Salt in an Electrolytic Solvent in a Lithium Ion Secondary Battery: A Direct Ab Initio Molecular Dynamics (AIMD) StudyTACHIKAWA, Hiroto.ChemPhysChem (Print). 2014, Vol 15, Num 8, pp 1604-1610, issn 1439-4235, 7 p.Article

Ionization dynamics of a water dimer: specific reaction selectivityTACHIKAWA, Hiroto.PCCP. Physical chemistry chemical physics (Print). 2011, Vol 13, Num 23, pp 11206-11212, issn 1463-9076, 7 p.Article

Electron capture dynamics of the water dimer: a direct ab initio dynamics studyTACHIKAWA, Hiroto.Chemical physics letters. 2003, Vol 370, Num 1-2, pp 188-196, issn 0009-2614, 9 p.Article

Ab-initio DFT study on the mechanism of the electron conductivity of molecular devices composed of indium atoms and C=O carbonyl compoundsTACHIKAWA, Hiroto; KAWABATA, Hiroshi.Journal of material chemistry. 2003, Vol 13, Num 6, pp 1293-1297, issn 0959-9428, 5 p.Article

Full dimensional ab initio direct dynamics calculations of the ionization of H₂ clusters (H₂)_n (n = 3, 4 and 6)TACHIKAWA, Hiroto.PCCP. Physical chemistry chemical physics (Print). 2000, Vol 2, Num 20, pp 4702-4707, issn 1463-9076Conference Paper

Structures and electronic states of fluorinated grapheneTACHIKAWA, Hiroto; IYAMA, Tetsuji.Solid state sciences. 2014, Vol 28, pp 41-46, issn 1293-2558, 6 p.Article

A density functional theory study on the degradation mechanism of thin film of organic semiconductor by water moleculesTACHIKAWA, Hiroto; KAWABATA, Hiroshi.Thin solid films. 2008, Vol 516, Num 10, pp 3287-3293, issn 0040-6090, 7 p.Article

Diffusion of Li⁺ ion in graphite cluster model at 800 K: a direct molecular orbital dynamics studySHIMIZU, Akira; TACHIKAWA, Hiroto.The Journal of physics and chemistry of solids. 2002, Vol 63, Num 4, pp 619-624, issn 0022-3697Article

Molecular dynamics simulation on diffusion of lithium atom pair in C₁₅₀H₃₀ cluster model for glassy carbon at very low temperaturesSHIMIZU, Akira; TACHIKAWA, Hiroto.Electrochimica acta. 2003, Vol 48, Num 12, pp 1727-1733, issn 0013-4686, 7 p.Article

Ah initio and hybrid DFT study on the electronic states of fluorenone-Na complexesKAWABATA, Hiroshi; TACHIKAWA, Hiroto.PCCP. Physical chemistry chemical physics (Print). 2003, Vol 5, Num 17, pp 3587-3590, issn 1463-9076, 4 p.Article

Ab initio MO calculations of hyperfine coupling constants of hydronium radical H₃OTACHIKAWA, Hiroto; YAMANO, Tadaomi.Chemical physics letters. 2001, Vol 335, Num 3-4, pp 305-310, issn 0009-2614Article

Ground and low-lying excited electronic states of graphene flakes: a density functional theory studyTACHIKAWA, Hiroto; KAWABATA, Hiroshi.Journal of physics. B. Atomic, molecular and optical physics (Print). 2011, Vol 44, Num 20, issn 0953-4075, 205105.1-205106.8Article

DFT and direct ab-initio MD study on hyperfine coupling constants of methyl radicals adsorbed on model surface of silica gelTAKADA, Tomoya; TACHIKAWA, Hiroto.Journal of molecular catalysis. A, Chemical. 2009, Vol 311, Num 1-2, pp 54-60, issn 1381-1169, 7 p.Article

The direct molecular orbital dynamics study on the hydrogen species adsorbed on the surface of planar graphite cluster modelSHIMIZU, Akira; TACHIKAWA, Hiroto.The Journal of physics and chemistry of solids. 2002, Vol 63, Num 5, pp 759-763, issn 0022-3697Article

Molecular dynamics calculation on three lithium atoms in planar cluster model C₁₅₀H₃₀ for glassy carbonSHIMIZU, Akira; TACHIKAWA, Hiroto.The Journal of physics and chemistry of solids. 2003, Vol 64, Num 11, pp 2235-2243, issn 0022-3697, 9 p.Article

The dynamics on migrations of Li⁺ ion and Li atom at 700 K around the circumference of graphite cluster model : A direct molecular dynamics studySHIMIZU, Akira; TACHIKAWA, Hiroto.Chemical physics letters. 2001, Vol 339, Num 1-2, pp 110-116, issn 0009-2614Article

Ionization dynamics of aminopyridine dimer: a direct ab initio molecular dynamics (MD) studyTACHIKAWA, Hiroto; FUKUZUMI, Takahiro.PCCP. Physical chemistry chemical physics (Print). 2011, Vol 13, Num 13, pp 5881-5887, issn 1463-9076, 7 p.Article

Molecular dynamics simulation for sodium atom in and on the two layers of C₁₅₀H 30 graphite planeSHIMIZU, Akira; TACHIKAWA, Hiroto.The Journal of physics and chemistry of solids. 2003, Vol 64, Num 12, pp 2397-2402, issn 0022-3697, 6 p.Article

Thermal behavior of hydrogen atom intercalated between two layers of C₁₅₀H₃₀ graphite plane: MD simulationSHIMIZU, Akira; TACHIKAWA, Hiroto.The Journal of physics and chemistry of solids. 2003, Vol 64, Num 3, pp 419-423, issn 0022-3697, 5 p.Article

Thermal behaviors of lithium in and on the two layers of C₁₅₀H₃₀ graphite plane: MD simulationSHIMIZU, Akira; TACHIKAWA, Hiroto.The Journal of physics and chemistry of solids. 2003, Vol 64, Num 5, pp 807-811, issn 0022-3697, 5 p.Article

Hydrogen tunneling reactions in condensed phase : Ab-initio MO and dynamics approachesTACHIKAWA, Hiroto.Recent research developments in physical chemistry (Vol. 3 (1999) ; part II). 1999, pp 419-457, isbn 81-86846-79-4Book Chapter

Electronic state dependence of the ion-molecule reaction CH₃CN⁺ CH₃CN → CH₄CN⁺ + CH₂CN: threshold electron-secondary ion coincidence (TESICO) and direct ab initio molecular dynamics studyTACHIKAWA, Hiroto; FUKUZUMI, Takahiro; INAOKA, Kazushige et al.PCCP. Physical chemistry chemical physics (Print). 2010, Vol 12, Num 47, pp 15399-15405, issn 1463-9076, 7 p.Article

The structures and electronic states of zinc-water clusters Zn_n(H₂O)_m (n = 1-32 and m = 1-3)TACHIKAWA, Hiroto; IOKIBE, Kei; AZUMI, Kazuhisa et al.PCCP. Physical chemistry chemical physics (Print). 2007, Vol 9, Num 30, pp 3978-3984, issn 1463-9076, 7 p.Article