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Showing results 1 to 11 of 11
TypeAuthor(s)TitleOther TitlesCitationCitation(alt)Issue Date
article (author version)Maeda, Satoshi; Harabuchi, Yu; Takagi, Makito; Taketsugu, Tetsuya; Morokuma, KeijiArtificial Force Induced Reaction (AFIR) Method for Exploring Quantum Chemical Potential Energy Surfaces-Chemical record-Oct-2016
articleTakenaka, Masato; Taketsugu, Tetsuya; Iwasa, TakeshiCombined computational quantum chemistry and classical electrodynamics approach for surface enhanced infrared absorption spectroscopy-Journal of chemical physics-30-Apr-2020
articleNakayama, Akira; Niimi, Keisuke; Ono, Yuriko; Taketsugu, TetsuyaCompeting effects of rare gas atoms in matrix isolation spectroscopy: A case study of vibrational shift of BeO in Xe and Ar matrices-Journal of Chemical Physics-7-Feb-2012
article (author version)Cao, Yang; Maitarad, Phornphimon; Gao, Min; Taketsugu, Tetsuya; Li, Hongrui; Yan, Tingting; Shi, Liyi; Zhang, DengsongDefect-induced efficient dry reforming of methane over two-dimensional Ni/h-boron nitride nanosheet catalysts-Applied Catalysis B-environmental-15-Dec-2018
articleFujimori, Toshikazu; Kobayashi, Masato; Taketsugu, TetsuyaEnergy-based automatic determination of buffer region in the divide-and-conquer second-order Moller-Plesset perturbation theory-Journal of computational chemistry-25-Mar-2021
articleYoshimura, Takayoshi; Maeda, Satoshi; Taketsugu, Tetsuya; Sawamura, Masaya; Morokuma, Keiji; Mori, SeijiExploring the full catalytic cycle of rhodium(I)BINAP-catalysed isomerisation of allylic amines : a graph theory approach for path optimisation-Chemical science-Jun-2017
articleIwasa, Takeshi; Takenaka, Masato; Taketsugu, TetsuyaGeneralized theoretical method for the interaction between arbitrary nonuniform electric field and molecular vibrations : Toward near-field infrared spectroscopy and microscopy-Journal of chemical physics-29-Mar-2016
articleTakagi, Makito; Taketsugu, Tetsuya; Kino, Hiori; Tateyama, Yoshitaka; Terakura, Kiyoyuki; Maeda, SatoshiGlobal search for low-lying crystal structures using the artificial force induced reaction method : A case study on carbon-Physical Review B-30-May-2017
article (author version)Kobayashi, Masato; Taketsugu, TetsuyaSecond-order Moller-Plesset perturbation (MP2) theory at finite temperature: relation with Surjan's density matrix MP2 and its application to linear-scaling divide-and-conquer method-Theoretical chemistry accounts-16-Aug-2015
article (author version)Saita, Kenichiro; Harabuchi, Yu; Taketsugu, Tetsuya; Ishitani, Osamu; Maeda, SatoshiTheoretical study on mechanism of the photochemical ligand substitution of fac-[Re-I(bpy)(CO)(3)(PR3)](+) complex-Physical chemistry chemical physics-14-Jul-2016
article (author version)Yamamoto, Eiji; Maeda, Satoshi; Taketsugu, Tetsuya; Ito, HajimeTransition-Metal-Free Boryl Substitution Using Silylboranes and Alkoxy Bases-Synlett-Jul-2017
Showing results 1 to 11 of 11


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