1. Cover Image. Issue 29 (23rd September 2020) Authors: Saito, Kohei; Watabe, Yuya; Miyazaki, Takaaki; Takayanagi, Toshiyuki; Hasegawa, Jun‐ya Journal: Journal of computational chemistry Issue: Volume 41:Issue 29(2020) Page Start: C1 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Electrocatalytic hydrogen production using [FeFe]-hydrogenase mimics based on tetracene derivatives. (15th August 2019) Authors: Watanabe, Motonori; Goto, Kenta; Miyazaki, Takaaki; Shibahara, Masahiko; Chang, Yuan Jay; Chow, Tahsin J.; Ishihara, Tatsumi Journal: New journal of chemistry Issue: Volume 43:Number 35(2019) Page Start: 13810 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Heptacene: Synthesis and Its Hole‐Transfer Property in Stable Thin Films. Issue 41 (4th June 2021) Authors: Miyazaki, Takaaki; Watanabe, Motonori; Matsushima, Toshinori; Chien, Ching‐Ting; Adachi, Chihaya; Sun, Shih‐Sheng; Furuta, Hiroyuki; Chow, Tahsin J. Journal: Chemistry Issue: Volume 27:Issue 41(2021) Page Start: 10677 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Nuclear quantum effects in the direct ionization process of pure helium clusters: path-integral and ring-polymer molecular dynamics simulations on the diatomics-in-molecule potential energy surfaces. Issue 41 (11th October 2018) Authors: Suzuki, Kento; Miyazaki, Takaaki; Takayanagi, Toshiyuki; Shiga, Motoyuki Journal: Physical chemistry chemical physics Issue: Volume 20:Issue 41(2018) Page Start: 26489 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. N‐Confused Porphyrin Metal Complexes with an Axial Pyridine Directly Tethered from an Inner Carbon: A Bioinspired Ligand as a Versatile Platform for Catalysis. Issue 2 (22nd January 2018) Authors: Miyazaki, Takaaki; Yamamoto, Takaaki; Mashita, Shunichi; Deguchi, Yuya; Fukuyama, Kazuki; Ishida, Masatoshi; Mori, Shigeki; Furuta, Hiroyuki Journal: European journal of inorganic chemistry Issue: Issue 2(2018) Page Start: 203 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Positron–electron correlation‐polarization potential model for positron binding in polyatomic molecules. Issue 17 (30th March 2020) Authors: Sugiura, Yutaro; Suzuki, Haruya; Otomo, Takuma; Miyazaki, Takaaki; Takayanagi, Toshiyuki; Tachikawa, Masanori Journal: Journal of computational chemistry Issue: Volume 41:Issue 17(2020) Page Start: 1576 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Quantum calculations of the photoelectron spectra of the OH−·NH3 anion: implications for OH + NH3 → H2O + NH2 reaction dynamics. Issue 11 (17th March 2021) Authors: Saito, Kohei; Sugiura, Yutaro; Miyazaki, Takaaki; Takahashi, Yukinobu; Takayanagi, Toshiyuki Journal: Physical chemistry chemical physics Issue: Volume 23:Issue 11(2021) Page Start: 6950 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Ruthenium N‐Confused Porphyrins: Selective Reactivity for Ambident 2‐Heteroatom‐Substituted Pyridines Serving as Axial Ligands. Issue 6 (14th February 2019) Authors: Miyazaki, Takaaki; Fukuyama, Kazuki; Mashita, Shunichi; Deguchi, Yuya; Yamamoto, Takaaki; Ishida, Masatoshi; Mori, Shigeki; Furuta, Hiroyuki Journal: ChemPlusChem Issue: Volume 84:Issue 6(2019) Page Start: 603 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Ruthenium(iv) N-confused porphyrin μ-oxo-bridged dimers: acid-responsive molecular rotors. Issue 40 (13th July 2021) Authors: Iwanaga, Osamu; Fukuyama, Kazuki; Mori, Shigeki; Song, Jun Tae; Ishihara, Tatsumi; Miyazaki, Takaaki; Ishida, Masatoshi; Furuta, Hiroyuki Journal: RSC advances Issue: Volume 11:Issue 40(2021) Page Start: 24575 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Spin‐inversion mechanisms in O2 binding to a model heme compound: A perspective from nonadiabatic wave packet calculations. Issue 29 (25th August 2020) Authors: Saito, Kohei; Watabe, Yuya; Miyazaki, Takaaki; Takayanagi, Toshiyuki; Hasegawa, Jun‐ya Journal: Journal of computational chemistry Issue: Volume 41:Issue 29(2020) Page Start: 2527 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗