51. Key Structures and Interactions for Binding of Mycobacterium tuberculosis Protein Kinase B Inhibitors from Molecular Dynamics Simulation. (24th November 2014) Authors: Punkvang, Auradee; Kamsri, Pharit; Saparpakorn, Patchreenart; Hannongbua, Supa; Wolschann, Peter; Irle, Stephan; Pungpo, Pornpan Journal: Chemical biology & drug design Issue: Volume 86:Number 1(2015:Jul.) Page Start: 871 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
52. Kinetic Isotope Effect in the Hydrogenation and Deuteration of Graphene. (2nd November 2012) Authors: Paris, Alessio; Verbitskiy, Nikolay; Nefedov, Alexei; Wang, Ying; Fedorov, Alexander; Haberer, Danny; Oehzelt, Martin; Petaccia, Luca; Usachov, Dmitry; Vyalikh, Denis; Sachdev, Hermann; Wöll, Christoph; Knupfer, Martin; Büchner, Bernd; Calliari, Lucia; Yashina, Lada; Irle, Stephan; Grüneis, Alexa... Journal: Advanced functional materials Issue: Volume 23:Number 13(2013) Page Start: 1628 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
53. 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) ↗
54. 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) ↗
55. Macro- and Microsimulations for a Sublimation Growth of SiC Single Crystals. (12th January 2009) Authors: Geiser, Jürgen; Irle, Stephan Other Names: Piqueira José Roberto Castilho Academic Editor. Journal: Mathematical problems in engineering Issue: Volume 2009(2009) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
56. Macro- and Microsimulations for a Sublimation Growth of SiC Single Crystals. (3rd February 2009) Authors: Geiser, Jürgen; Irle, Stephan Other Names: Piqueira José Roberto Castilho Academic Editor. Journal: Mathematical problems in engineering Issue: Volume 2009(2009) Page Start: Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
57. Mechanical properties of zeolite-templated carbons from approximate density functional theory calculations. (25th January 2023) Authors: Szilagyi, Robert K.; Stadie, Nicholas P.; Irle, Stephan; Nishihara, Hirotomo Journal: Carbon Issue: Volume 203(2023) Page Start: 896 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
58. Mechanical properties of zeolite-templated carbons from approximate density functional theory calculations. (February 2023) Authors: Szilagyi, Robert K.; Stadie, Nicholas P.; Irle, Stephan; Nishihara, Hirotomo Journal: Carbon Issue: Volume 204(2023) Page Start: 2 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
59. Near infrared two-photon-excited and -emissive dyes based on a strapped excited-state intramolecular proton-transfer (ESIPT) scaffold. Issue 10 (9th February 2018) Authors: Suzuki, Naoya; Suda, Kayo; Yokogawa, Daisuke; Kitoh-Nishioka, Hirotaka; Irle, Stephan; Ando, Akihiro; Abegão, Luis M. G.; Kamada, Kenji; Fukazawa, Aiko; Yamaguchi, Shigehiro Journal: Chemical science Issue: Volume 9:Issue 10(2018) Page Start: 2666 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
60. Phenyleneethynylene trimer-based rigid-flexible [2+2] macrocycles for nucleic acid labelling in live cells. Issue 42 (3rd May 2019) Authors: Moon, Joong Ho; Manandhar, Prakash; Torabi, Hooman; Rohman, Md Rumum; Mathivathanan, Logesh; Lee, Ka Hung; Irle, Stephan Journal: Chemical communications Issue: Volume 55:Issue 42(2019) Page Start: 5930 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗