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. Spin‐inversion mechanisms in O2 binding to a model heme complex revisited by density function theory calculations. Issue 11 (5th February 2020) Authors: Saito, Kohei; Watabe, Yuya; Fujihara, Takashi; Takayanagi, Toshiyuki; Hasegawa, Jun‐ya Journal: Journal of computational chemistry Issue: Volume 41:Issue 11(2020) Page Start: 1130 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. 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) ↗
4. Spin‐inversion mechanisms in the reactions of transition metal cations (Sc+, Ti+, V+, Cr+, Mn+, Fe+, Co+, Ni+, and Cu+) with OCS in the gas phase: A perspective from automated reaction path search calculations. Issue 11 (29th January 2019) Authors: Nakatomi, Taiki; Koido, Shoichi; Watabe, Yuya; Takayanagi, Toshiyuki Journal: International journal of quantum chemistry Issue: Volume 119:Issue 11(2019) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗