1. Computational (DFT) and Experimental (EXAFS) Study of the Interaction of [Ir(IMes)(H)2(L)3] with Substrates and Co‐substrates Relevant for SABRE in Dilute Systems1. Issue 29 (12th June 2015) Authors: van Weerdenburg, Bram J. A.; Engwerda, Anthonius H. J.; Eshuis, Nan; Longo, Alessandro; Banerjee, Dipanjan; Tessari, Marco; Guerra, Célia Fonseca; Rutjes, Floris P. J. T.; Bickelhaupt, F. Matthias; Feiters, Martin C. Journal: Chemistry Issue: Volume 21:Issue 29(2015) Page Start: 10482 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. Correction: New light on an old debate: does the RCN–PtCl2 bond include any back-donation? RCN ← PtCl2 backbonding vs. the IR νCN blue-shift dichotomy in organonitriles–platinum(ii) complexes. A thorough density functional theory – energy decomposition analysis study. Issue 35 (27th August 2019) Authors: Casella, Girolamo; Guerra, Célia Fonseca; Carlotto, Silvia; Sgarbossa, Paolo; Bertani, Roberta; Casarin, Maurizio Journal: Dalton transactions Issue: Volume 48:Issue 35(2019) Page Start: 13491 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. Covalency in resonance-assisted halogen bonds demonstrated with cooperativity in N-halo-guanine quartets. Issue 3 (1st December 2014) Authors: Wolters, Lando P.; Smits, Nicole W. G.; Guerra, Célia Fonseca Journal: Physical chemistry chemical physics Issue: Volume 17:Issue 3(2015) Page Start: 1585 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Evaluation of the Alicyclic Gauche Effect in 2‐Fluorocyclohexanone Analogs: a Combined NMR and DFT Study. Issue 7 (11th February 2020) Authors: Silva, Daniela Rodrigues; Zeoly, Lucas A.; Cormanich, Rodrigo A.; Guerra, Célia Fonseca; Freitas, Matheus P. Journal: European journal of organic chemistry Issue: Issue 7(2020) Page Start: 884 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. Front Cover: Nature and Strength of Lewis Acid/Base Interaction in Boron and Nitrogen Trihalides (Chem. Asian J. 23/2020). Issue 23 (9th November 2020) Authors: Rodrigues Silva, Daniela; de Azevedo Santos, Lucas; Freitas, Matheus P.; Guerra, Célia Fonseca; Hamlin, Trevor A. Journal: Chemistry, an Asian journal Issue: Volume 15:Issue 23(2020) Page Start: 3913 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Nature and Strength of Lewis Acid/Base Interaction in Boron and Nitrogen Trihalides. Issue 23 (21st October 2020) Authors: Rodrigues Silva, Daniela; de Azevedo Santos, Lucas; Freitas, Matheus P.; Guerra, Célia Fonseca; Hamlin, Trevor A. Journal: Chemistry, an Asian journal Issue: Volume 15:Issue 23(2020) Page Start: 4043 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Performance of TDDFT Vertical Excitation Energies of Core‐Substituted Naphthalene Diimides. Issue 15 (6th March 2020) Authors: Narsaria, Ayush K.; Ruijter, Julian D.; Hamlin, Trevor A.; Ehlers, Andreas W.; Guerra, Célia Fonseca; Lammertsma, Koop; Bickelhaupt, F. Matthias Journal: Journal of computational chemistry Issue: Volume 41:Issue 15(2020) Page Start: 1448 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. Substituent effects on the optical properties of naphthalenediimides: A frontier orbital analysis across the periodic table. Issue 2 (7th October 2015) Authors: Mulder, Joshua R.; Guerra, Célia Fonseca; Slootweg, J. Chris; Lammertsma, Koop; Bickelhaupt, F. Matthias Journal: Journal of computational chemistry Issue: Volume 37:Issue 2(2016) Page Start: 304 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. The influence of substituents and the environment on the NMR shielding constants of supramolecular complexes based on A–T and A–U base pairs. Issue 21 (11th May 2017) Authors: Castro, Abril C.; Swart, Marcel; Guerra, Célia Fonseca Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 21(2017) Page Start: 13496 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗