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Journal of Computational Chemistry|November 1, 2018
Electronic processes in NO dimerization on Ag and Cu clusters: DFT and MRMP2 studiesNozomi Takagi, Masayuki Nakagaki, Kazuya Ishimura, et al.ACS Omega|August 29, 2019
Changes in the Electronic States of Low-Temperature Solid <i>n</i>-Tetradecane: Decrease in the HOMO-LUMO GapYusuke Morisawa, Shin Tachibana, Akifumi Ikehata, et al.The Journal of Physical Chemistry. B|September 10, 2014
Rydberg and π-π* transitions in film surfaces of various kinds of nylons studied by attenuated total reflection far-ultraviolet spectroscopy and quantum chemical calculations: peak shifts in the spectra and their relation to nylon structure and hydrogen bondingsYusuke Morisawa, Manaka Yasunaga, Harumi Sato, et al.The Journal of Physical Chemistry. A|April 27, 2021
Lifetimes of Be<sub>3</sub><sup>2-</sup> and Mg<sub>3</sub><sup>2-</sup> Cluster DianionsJeremy U Davis, Quan Manh Phung, Takeshi Yanai, et al.Chemistry (Weinheim an Der Bergstrasse, Germany)|May 19, 2025
Novel Helical Metallocryptand for Size-Selective Recognition of Amino Acid Derivatives with Aliphatic Side ChainsSyadza Firdausiah, Ryo Ide, Masahiro Ehara, et al.Inorganic Chemistry|April 11, 2025
Stabilities Referring to the f Electron Effect in Erbium-Based Endohedral Metallofullerenes: Revisiting Er<sub>2</sub>@C<sub>80</sub> and the Missing Er<sub>2</sub>C<sub>2</sub>@C<sub>78</sub>Yanbo Han, Hong Zheng, Jun He, et al.ACS Applied Materials & Interfaces|February 5, 2021
Oxidation and Storage Mechanisms for Nitrogen Oxides on Variously Terminated (001) Surfaces of SrFeO<sub>3-δ</sub> and Sr<sub>3</sub>Fe<sub>2</sub>O<sub>7-δ</sub> PerovskitesAkihiko Takamatsu, Kazuki Tamai, Saburo Hosokawa, et al.Journal of Computational Chemistry|July 18, 2003
Electronic excitations of the green fluorescent protein chromophore in its protonation states: SAC/SAC-CI studyAbhijit K Das, Jun-Ya Hasegawa, Tomoo Miyahara, et al.The Journal of Physical Chemistry. A|December 17, 2011
Photophysical properties and photochemistry of EE-, EZ-, and ZZ-1,4-dimethoxy-2,5-bis[2-(thien-2-yl)ethenyl] benzene in solution: theory and experimentSongwut Suramitr, Suphawarat Phalinyot, Peter Wolschann, et al.Journal of Chemical Theory and Computation|November 21, 2015
Benchmark Study on the Triplet Excited-State Geometries and Phosphorescence Energies of Heterocyclic Compounds: Comparison Between TD-PBE0 and SAC-CIDiane Bousquet, Ryoichi Fukuda, Denis Jacquemin, et al.Pageof 17