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Molecules (Basel, Switzerland)|June 27, 2024
Theoretical Study of the Thermal Rate Coefficients of the H3+ + C2H4 Reaction: Dynamics Study on a Full-Dimensional Potential Energy SurfaceTatsuhiro Murakami, Soma Takahashi, Yuya Kikuma, et al.Angewandte Chemie (International Ed. in English)|October 11, 2014
Fundamental change in the nature of chemical bonding by isotopic substitutionDonald G Fleming, Jörn Manz, Kazuma Sato, et al.The Journal of Physical Chemistry. A|June 14, 2019
Theoretical Study on the Spectroscopic Observation of Intersystem Crossing between 3B1 and 1A1 States of GeH2 Using the GeH2- (2B1) AnionYuya Watabe, Takaaki Miyazaki, Toshiyuki Takayanagi, et al.The Journal of Physical Chemistry. A|September 14, 2011
Quantum proton transfer in hydrated sulfuric acid clusters: a perspective from semiempirical path integral simulationsShuichi Sugawara, Takehiro Yoshikawa, Toshiyuki Takayanagi, et al.Physical Chemistry Chemical Physics : PCCP|May 10, 2023
Dynamics study of the post-transition-state-bifurcation process of the (HCOOH)H+ → CO + H3O+/HCO+ + H2O dissociation: application of machine-learning techniquesTatsuhiro Murakami, Shunichi Ibuki, Yu Hashimoto, et al.Journal of Computational Chemistry|July 7, 2026
Nuclear Quantum Effects on the Organic Bifurcation Reaction in Microsolvated Water Clusters: Ring-Polymer Molecular Dynamics Calculations Using an Explicit Solvation ModelShoto Nakagawa, Hayato Matsubuchi, Haruki Ota, et al.The Journal of Physical Chemistry. A|January 18, 2019
Hydration Effect on Positron Binding Ability of Proline: Positron Attachment Induces Proton-Transfer To Form Zwitterionic StructureKento Suzuki, Yutaro Sugiura, Toshiyuki Takayanagi, et al.Physical Chemistry Chemical Physics : PCCP|March 17, 2021
Quantum calculations of the photoelectron spectra of the OH-·NH3 anion: implications for OH + NH3→ H2O + NH2 reaction dynamicsKohei Saito, Yutaro Sugiura, Takaaki Miyazaki, et al.Journal of Computational Chemistry|October 5, 2018
Reduction of OH vibrational frequencies in amino acids by positron attachmentYutaro Sugiura, Kento Suzuki, Toshiyuki Takayanagi, et al.Journal of Computational Chemistry|August 21, 2024
Temperature effects on the branching dynamics in the model ambimodal (6 + 4)/(4 + 2) intramolecular cycloaddition reactionTatsuhiro Murakami, Daiki Hayashi, Yuya Kikuma, et al.Pageof 6