71. 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) ↗
72. 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) ↗
73. Theoretical investigation of molecular and electronic structure changes of the molecular magnet Mn12 cluster upon super‐reduction. Issue 6 (28th April 2014) Authors: Nishimoto, Yoshio; Yoshikawa, Hirofumi; Awaga, Kunio; Lundberg, Marcus; Irle, Stephan Journal: Physica status solidi Issue: Volume 8:Issue 6(2014:Jun.) Page Start: 517 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
74. Theoretical rationalization for reduced charge recombination in bulky carbazole‐based sensitizers in solar cells. Issue 12 (13th February 2017) Authors: Surakhot, Yaowarat; Laszlo, Viktor; Chitpakdee, Chirawat; Promarak, Vinich; Sudyoadsuk, Taweesak; Kungwan, Nawee; Kowalczyk, Tim; Irle, Stephan; Jungsuttiwong, Siriporn Journal: Journal of computational chemistry Issue: Volume 38:Issue 12(2017) Page Start: 901 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
75. Three pillars for achieving quantum mechanical molecular dynamics simulations of huge systems: Divide‐and‐conquer, density‐functional tight‐binding, and massively parallel computation. Issue 21 (18th June 2016) Authors: Nishizawa, Hiroaki; Nishimura, Yoshifumi; Kobayashi, Masato; Irle, Stephan; Nakai, Hiromi Journal: Journal of computational chemistry Issue: Volume 37:Issue 21(2016) Page Start: 1983 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
76. Topology‐Templated Synthesis of Crystalline Porous Covalent Organic Frameworks. (18th May 2020) Authors: Jin, Enquan; Geng, Keyu; Lee, Ka Hung; Jiang, Weiming; Li, Juan; Jiang, Qiuhong; Irle, Stephan; Jiang, Donglin Journal: Angewandte Chemie Issue: Volume 132:Number 29(2020) Page Start: 12260 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
77. Topology‐Templated Synthesis of Crystalline Porous Covalent Organic Frameworks. Issue 29 (18th May 2020) Authors: Jin, Enquan; Geng, Keyu; Lee, Ka Hung; Jiang, Weiming; Li, Juan; Jiang, Qiuhong; Irle, Stephan; Jiang, Donglin Journal: Angewandte Chemie international edition Issue: Volume 59:Issue 29(2020) Page Start: 12162 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
78. Two‐Dimensional Tetrathiafulvalene Covalent Organic Frameworks: Towards Latticed Conductive Organic Salts. Issue 45 (29th April 2014) Authors: Jin, Shangbin; Sakurai, Tsuneaki; Kowalczyk, Tim; Dalapati, Sasanka; Xu, Fei; Wei, Hao; Chen, Xiong; Gao, Jia; Seki, Shu; Irle, Stephan; Jiang, Donglin Journal: Chemistry Issue: Volume 20:Issue 45(2014) Page Start: 14608 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
79. Unraveling the plasma-material interface with real time diagnosis of dynamic boron conditioning in extreme tokamak plasmas. (21st July 2017) Authors: Domínguez-Gutiérrez, F. Javier; Bedoya, Felipe; Krstić, Predrag S.; Allain, Jean P.; Irle, Stephan; Skinner, Charles H.; Kaita, Robert; Koel, Bruce Journal: Nuclear fusion Issue: Volume 57:Number 8(2017:Aug.) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗