1. A flat-lying dimer as a key intermediate in NO reduction on Cu(100). Issue 31 (30th July 2021) Authors: Kuroishi, Kenta; Al Fauzan, Muhammad Rifqi; Pham, Thanh Ngoc; Wang, Yuelin; Hamamoto, Yuji; Inagaki, Kouji; Shiotari, Akitoshi; Okuyama, Hiroshi; Hatta, Shinichiro; Aruga, Tetsuya; Hamada, Ikutaro; Morikawa, Yoshitada Journal: Physical chemistry chemical physics Issue: Volume 23:Issue 31(2021) Page Start: 16880 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Acetylcholine Conformational Flexibility and Its Neutral Hydrolysis in Aqueous Solution. Issue 15 (17th April 2023) Authors: Fadilla, Rizka N.; Rusydi, Febdian; Madinah, Roichatul; Dipojono, Hermawan K.; Ahmad, Faozan; Mudasir, Mudasir; Puspitasari, Ira; Morikawa, Yoshitada Journal: ChemistrySelect Issue: Volume 8:Issue 15(2023) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Activity and selectivity of N2 fixation on B doped g-C9N10: a density functional theory study. Issue 32 (3rd August 2022) Authors: Wang, Yuelin; Pham, Thanh Ngoc; Yan, Likai; Morikawa, Yoshitada Journal: Journal of materials chemistry Issue: Volume 10:Issue 32(2022) Page Start: 11791 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Adsorption of toxic gases on borophene: surface deformation links to chemisorptions. Issue 30 (20th May 2021) Authors: Ta, Luong Thi; Hamada, Ikutaro; Morikawa, Yoshitada; Dinh, Van An Journal: RSC advances Issue: Volume 11:Issue 30(2021) Page Start: 18279 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Alkaline earth atom doping-induced changes in the electronic and magnetic properties of graphene: a density functional theory study. Issue 11 (3rd February 2021) Authors: Serraon, Ace Christian F.; Del Rosario, Julie Anne D.; Abel Chuang, Po-Ya; Chong, Meng Nan; Morikawa, Yoshitada; Padama, Allan Abraham B.; Ocon, Joey D. Journal: RSC advances Issue: Volume 11:Issue 11(2021) Page Start: 6268 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Augmented pH-sensitivity absorbance of a ruthenium(ii) bis(bipyridine) complex with elongation of the conjugated ligands: an experimental and theoretical investigation. Issue 37 (15th September 2017) Authors: San Tan, Siew; Yanagisawa, Susumu; Inagaki, Kouji; Morikawa, Yoshitada; Kassim, Mohammad B. Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 37(2017) Page Start: 25734 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Blue moon ensemble simulation of aquation free energy profiles applied to mono and bifunctional platinum anticancer drugs. Issue 22 (26th June 2020) Authors: Hirakawa, Teruo; Bowler, David R.; Miyazaki, Tsuyoshi; Morikawa, Yoshitada; Truflandier, Lionel A. Journal: Journal of computational chemistry Issue: Volume 41:Issue 22(2020) Page Start: 1973 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Computational investigations of electronic structure modifications of ferrocene-terminated self-assembled monolayers: effects of electron donating/withdrawing functional groups attached on the ferrocene moiety. Issue 48 (4th December 2017) Authors: Yokota, Yasuyuki; Akiyama, Sumito; Kaneda, Yukio; Imanishi, Akihito; Inagaki, Kouji; Morikawa, Yoshitada; Fukui, Ken-ichi Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 48(2017) Page Start: 32715 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Correlation between mobility and the hydrogen bonding network of water at an electrified-graphite electrode using molecular dynamics simulation. Issue 3 (3rd January 2020) Authors: Imai, Masaya; Yokota, Yasuyuki; Tanabe, Ichiro; Inagaki, Kouji; Morikawa, Yoshitada; Fukui, Ken-ichi Journal: Physical chemistry chemical physics Issue: Volume 22:Issue 3(2019) Page Start: 1767 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Desorption dynamics of CO2 from formate decomposition on Cu(111). Issue 66 (2nd August 2017) Authors: Muttaqien, Fahdzi; Oshima, Hiroyuki; Hamamoto, Yuji; Inagaki, Kouji; Hamada, Ikutaro; Morikawa, Yoshitada Journal: Chemical communications Issue: Volume 53:Issue 66(2017) Page Start: 9222 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗