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TypeAuthor(s)TitleOther TitlesCitationCitation(alt)Issue Date
articleLiu, Hongmei; Ni, Wenbin; Zhao, Jianwei; Wang, Nan; Guo, Yan; Taketsugu, Tetsuya; Kiguchi, Manabu; Murakoshi, KeiNonequilibrium Green's function study on the electronic structure and transportation behavior of the conjugated molecular junction : Terminal connections and intramolecular connections-Journal of Chemical Physics-28-Jun-2009
articleNakayama, Akira; Seki, Nanami; Taketsugu, TetsuyaEfficient sampling for ab initio Monte Carlo simulation of molecular clusters using an interpolated potential energy surface-Journal of chemical physics-13-Jan-2009
article (author version)Kayanuma, Megumi; Taketsugu, Tetsuya; Ishii, KeisakuAn ab initio molecular dynamics study on the dissociative recombination reaction of HD2O+ + e−-Theoretical Chemistry Accounts-May-2008
article (author version)Kayanumai, Megumi; Taketsugu, Tetsuya; Ishii, KeisakuAb initio surface hopping simulation on dissociative recombination of H3O+-Chemical Physics Letters-Feb-2006
articleTaketsugu, Yuriko; Taketsugu, Tetsuya; Noro, TakeshiTheoretical prediction of noble-gas compounds : Ng-Pd-Ng and Ng-Pt-Ng-The Journal of Chemical Physics-2006
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