81. The duality of UiO-67-Pt MOFs: connecting treatment conditions and encapsulated Pt species by operando XAS. Issue 40 (4th October 2017) Authors: Braglia, L.; Borfecchia, E.; Martini, A.; Bugaev, A. L.; Soldatov, A. V.; Øien-Ødegaard, S.; Lønstad-Bleken, B. T.; Olsbye, U.; Lillerud, K. P.; Lomachenko, K. A.; Agostini, G.; Manzoli, M.; Lamberti, C. Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 40(2017) Page Start: 27489 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
82. The influence of the concentration and adsorption sites of different chemical groups on graphene through first principles simulations. Issue 40 (3rd October 2017) Authors: Tonel, M. Z.; Lara, I. V.; Zanella, I.; Fagan, S. B. Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 40(2017) Page Start: 27374 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
83. The ionic versus metallic nature of 2D electrides: a density-functional description. Issue 40 (3rd October 2017) Authors: Dale, Stephen G.; Johnson, Erin R. Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 40(2017) Page Start: 27343 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
84. The phenylselenyl radical and its reaction with molecular oxygen. Issue 40 (3rd October 2017) Authors: Mardyukov, Artur; Tsegaw, Yetsedaw A.; Sander, Wolfram; Schreiner, Peter R. Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 40(2017) Page Start: 27384 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
85. The role of Tat peptide self-aggregation in membrane pore stabilization: insights from a computational study. Issue 40 (5th October 2017) Authors: Jan Akhunzada, Muhammad; Chandramouli, Balasubramanian; Bhattacharjee, Nicholus; Macchi, Sara; Cardarelli, Francesco; Brancato, Giuseppe Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 40(2017) Page Start: 27603 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
86. Theoretical illumination of highly original photoreactive 3MC states and the mechanism of the photochemistry of Ru(ii) tris(bidentate) complexes. Issue 40 (9th October 2017) Authors: Dixon, Isabelle M.; Heully, Jean-Louis; Alary, Fabienne; Elliott, Paul I. P. Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 40(2017) Page Start: 27765 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
87. Theoretical investigation of the solid–liquid phase transition in protonated water clusters. Issue 40 (2nd October 2017) Authors: Korchagina, Kseniia; Simon, Aude; Rapacioli, Mathias; Spiegelman, Fernand; L'Hermite, Jean-Marc; Braud, Isabelle; Zamith, Sébastien; Cuny, Jérôme Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 40(2017) Page Start: 27288 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
88. Theoretical study of the charge transport mechanism in π-stacked systems of organic semiconductor crystals. Issue 40 (29th September 2017) Authors: Ya-Rui, Shi; Hui-Ling, Wei; Ya-Ting, Shi; Yu-Fang, Liu Journal: CrystEngComm Issue: Volume 19:Issue 40(2017) Page Start: 6008 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
89. Thermal conductivity of a h-BCN monolayer. Issue 40 (3rd October 2017) Authors: Zhang, Ying-Yan; Pei, Qing-Xiang; Liu, Hong-Yuan; Wei, Ning Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 40(2017) Page Start: 27326 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
90. Time-periodic oscillation reaction in an organic-solvent dominated electrolyte. Issue 40 (6th October 2017) Authors: Chang, Yu; Zhang, Nannan; Yang, Yuxin; Du, Jun; Fan, Xing; Tao, Changyuan Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 40(2017) Page Start: 27643 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗