1. Structural influence of transition metal (Sc, Y, and Lu) atoms inside gold nanoparticles. Issue 12 (21st March 2017) Authors: Zhao, Li Xia; Hijikata, Yuh; Irle, Stephan Journal: International journal of quantum chemistry Issue: Volume 117:Issue 12(2017) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. A Macrocyclic Fluorophore Dimer with Flexible Linkers: Bright Excimer Emission with a Long Fluorescence Lifetime. Issue 25 (28th April 2016) Authors: Osaki, Hiroshi; Chou, Chih‐Ming; Taki, Masayasu; Welke, Kai; Yokogawa, Daisuke; Irle, Stephan; Sato, Yoshikatsu; Higashiyama, Tetsuya; Saito, Shohei; Fukazawa, Aiko; Yamaguchi, Shigehiro Journal: Angewandte Chemie international edition Issue: Volume 55:Issue 25(2016) Page Start: 7131 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Structural transformations of graphene exposed to nitrogen plasma: quantum chemical molecular dynamics simulations. Issue 23 (19th March 2019) Authors: Moon, Seokjin; Hijikata, Yuh; Irle, Stephan Journal: Physical chemistry chemical physics Issue: Volume 21:Issue 23(2019) Page Start: 12112 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. A New Triazine‐Based Covalent Organic Framework for High‐Performance Capacitive Energy Storage. Issue 5 (20th February 2017) Authors: Bhanja, Piyali; Bhunia, Kousik; Das, Sabuj K.; Pradhan, Debabrata; Kimura, Ryuto; Hijikata, Yuh; Irle, Stephan; Bhaumik, Asim Journal: ChemSusChem Issue: Volume 10:Issue 5(2017) Page Start: 921 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. The helix‐inversion mechanism in double‐stranded helical oligomers bridged by rotary cyclic boronate esters. Issue 23 (16th May 2019) Authors: Hayashi, Taku; Lee, Ka Hung; Iida, Hiroki; Yashima, Eiji; Irle, Stephan; Hijikata, Yuh Journal: Journal of computational chemistry Issue: Volume 40:Issue 23(2019) Page Start: 2036 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Low-energy hydrogen uptake by small-cage Cn and Cn-1B fullerenes. (August 2018) Authors: Dominguez-Gutierrez, F. Javier; Krstic, Predrag S.; Irle, Stephan; Cabrera-Trujillo, Remigio Journal: Carbon Issue: Volume 134(2018) Page Start: 189 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Automatized Parameterization of the Density‐functional Tight‐binding Method. II. Two‐center Integrals. Issue 1 (7th September 2015) Authors: Witek, Henryk A.; Chou, Chien‐Pin; Mazur, Grzegorz; Nishimura, Yoshifumi; Irle, Stephan; Aradi, Bálint; Frauenheim, Thomas; Morokuma, Keiji Journal: Journal of the Chinese Chemical Society Issue: Volume 63:Issue 1(2016:Jan.) Page Start: 57 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Density-Functional Tight-Binding for Platinum Clusters and Bulk: Electronic vs Repulsive Parameters. (2019) Authors: Lee, Ka Hung; Vuong, Van Quan; Fung, Victor; Jiang, De-en; Irle, Stephan Journal: MRS advances Issue: Volume 4:Number 33/34(2019) Page Start: 1821 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. Boosting electrosynthesis of ammonia on surface-engineered MXene Ti3C2. (June 2020) Authors: Xia, Jiexiang; Yang, Shi-Ze; Wang, Bin; Wu, Peiwen; Popovs, Ilja; Li, Huaming; Irle, Stephan; Dai, Sheng; Zhu, Huiyuan Journal: Nano energy Issue: Volume 72(2020) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. A Macrocyclic Fluorophore Dimer with Flexible Linkers: Bright Excimer Emission with a Long Fluorescence Lifetime. (27th April 2016) Authors: Osaki, Hiroshi; Chou, Chih‐Ming; Taki, Masayasu; Welke, Kai; Yokogawa, Daisuke; Irle, Stephan; Sato, Yoshikatsu; Higashiyama, Tetsuya; Saito, Shohei; Fukazawa, Aiko; Yamaguchi, Shigehiro Journal: Angewandte Chemie Issue: Volume 128:Number 25(2016) Page Start: 7247 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗