1. Helicenes as Molecular Tweezers in the Formation of Cation−π Complexes. Bonding and Circular Dichroism Properties from Relativistic DFT Calculations. Issue 18 (10th July 2018) Authors: Ortolan, Alexandre O.; Caramori, Giovanni F.; Parreira, Renato L. T.; Muñoz‐Castro, Alvaro Journal: Chemphyschem Issue: Volume 19:Issue 18(2018) Page Start: 2321 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
2. How the electron-deficient cavity of heterocalixarenes recognizes anions: insights from computation. Issue 36 (1st September 2017) Authors: Ortolan, Alexandre O.; Caramori, Giovanni F.; Matthias Bickelhaupt, F.; Parreira, Renato L. T.; Muñoz-Castro, Alvaro; Kar, Tapas Journal: Physical chemistry chemical physics Issue: Volume 19:Issue 36(2017) Page Start: 24696 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
3. In Silico Design of Cylindrophanes: The Role of Functional Groups in a Fluoride Selective Host. Issue 17 (6th August 2020) Authors: Østrøm, Ina; Ortolan, Alexandre O.; Caramori, Giovanni F.; Mascal, Mark; Muñoz‐Castro, Alvaro; Parreira, Renato L. T. Journal: Chemphyschem Issue: Volume 21:Issue 17(2020) Page Start: 1989 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
4. Nature of hydride and halide encapsulation in Ag8 cages: insights from the structure and interaction energy of [Ag8(X){S2P(OiPr)2}6]+ (X = H−, F−, Cl−, Br−, I−) from relativistic DFT calculations. Issue 1 (13th December 2021) Authors: Guajardo Maturana, Raul; Ortolan, Alexandre O.; Rodríguez-Kessler, Peter L.; Caramori, Giovanni F.; Parreira, Renato L. T.; Muñoz-Castro, Alvaro Journal: Physical chemistry chemical physics Issue: Volume 24:Issue 1(2021) Page Start: 452 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
5. On the cation–π capabilities of small all sp2‐carbon host structures. Evaluation of [6.8]3cyclacene from relativistic DFT calculations. Issue 4 (11th October 2018) Authors: Ortolan, Alexandre O.; Charistos, Nicholas D.; Guajardo‐Maturana, Raul; Ulloa, Carolina Olea; Caramori, Giovanni F.; Parreira, Renato L. T.; Muñoz‐Castro, Alvaro Journal: International journal of quantum chemistry Issue: Volume 119:Issue 4(2019) Page Start: n/a Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
6. Role of the cation formal charge in cation–π interaction. A survey involving the [2.2.2]paracyclophane host from relativistic DFT calculations. (26th October 2015) Authors: Ortolan, Alexandre O.; Caramori, Giovanni F.; Frenking, Gernot; Muñoz-Castro, Alvaro Journal: New journal of chemistry Issue: Volume 39:Number 12(2015:Dec.) Page Start: 9963 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
7. Shedding light on the bonding situation of triangular and square heterometallic clusters: computational insight. (13th March 2020) Authors: Coimbra, Daniel F.; Ortolan, Alexandre O.; Orenha, Renato P.; da Silva, Vanessa B.; Parreira, Renato L. T.; Caramori, Giovanni F. Journal: New journal of chemistry Issue: Volume 44:Number 13(2020) Page Start: 5079 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
8. The bonding situation in heteromultimetallic carbonyl complexes. Issue 46 (9th November 2020) Authors: Ortolan, Alexandre O.; Caramori, Giovanni F.; Parreira, Renato L. T.; Orenha, Renato P.; Muñoz-Castro, Alvaro; Frenking, Gernot Journal: Dalton transactions Issue: Volume 49:Issue 46(2020) Page Start: 16762 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
9. The usefulness of energy decomposition schemes to rationalize host–guest interactions. Issue 48 (20th November 2020) Authors: Caramori, Giovanni F.; Østrøm, Ina; Ortolan, Alexandre O.; Nagurniak, Glaucio R.; Besen, Vitor M.; Muñoz-Castro, Alvaro; Orenha, Renato P.; Parreira, Renato L. T.; Galembeck, Sérgio E. Journal: Dalton transactions Issue: Volume 49:Issue 48(2020) Page Start: 17457 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗
10. Tracking the absence of anion–π interactions in modified [23](1, 3, 5)cyclophanes: insights from computation. (7th August 2019) Authors: Misturini, Alechania; Ortolan, Alexandre O.; Caramori, Giovanni F.; Cintra, Claudia H.; Parreira, Renato L. T. Journal: New journal of chemistry Issue: Volume 43:Number 33(2019) Page Start: 13271 Record Type: Journal Article View Content: Available online (eLD content is only available in our Reading Rooms) ↗