Frontera A - Search Results

1

One-Dimensional and Two-Dimensional Zn(II) Coordination Polymers with Ditopic Imidazo[1,5-a]pyridine: A Structural and Computational Study.

Sozzi M, Chierotti MR, Gobetto R, Gomila RM, Marzaroli V, Priola E, Volpi G, Zago S, Frontera A, Garino C. Sozzi M, et al. Among authors: frontera a. Molecules. 2024 Jan 30;29(3):653. doi: 10.3390/molecules29030653. Molecules. 2024. PMID: 38338397 Free PMC article.

2

Predicting experimental complexation-induced changes in (1)H NMR chemical shift for complexes between zinc-porphyrins and amines using the ab initio/GIAO-HF methodology.

Gomila RM, Quiñonero D, Rotger C, Garau C, Frontera A, Ballester P, Costa A, Deyà PM. Gomila RM, et al. Among authors: frontera a. Org Lett. 2002 Feb 7;4(3):399-401. doi: 10.1021/ol0170962. Org Lett. 2002. PMID: 11820889

3

Self-assembly, binding, and dynamic properties of heterodimeric porphyrin macrocycles.

Ballester P, Costa A, Deyà PM, Frontera A, Gomila RM, Oliva AI, Sanders JK, Hunter CA. Ballester P, et al. Among authors: frontera a. J Org Chem. 2005 Aug 19;70(17):6616-22. doi: 10.1021/jo0505369. J Org Chem. 2005. PMID: 16095278

4

DABCO-Induced self-assembly of a trisporphyrin double-decker cage: thermodynamic characterization and guest recognition.

Ballester P, Oliva AI, Costa A, Deyà PM, Frontera A, Gomila RM, Hunter CA. Ballester P, et al. Among authors: frontera a. J Am Chem Soc. 2006 Apr 26;128(16):5560-9. doi: 10.1021/ja060608t. J Am Chem Soc. 2006. PMID: 16620130

5

Substituent Effects in Multivalent Halogen Bonding Complexes: A Combined Theoretical and Crystallographic Study.

Bauzá A, Quiñonero D, Frontera A. Bauzá A, et al. Among authors: frontera a. Molecules. 2017 Dec 22;23(1):18. doi: 10.3390/molecules23010018. Molecules. 2017. PMID: 29271896 Free PMC article.

6

Chalcogen 'like-like' Interactions Involving Trisulphide and Triselenide Compounds: A Combined CSD and Ab Initio Study.

Bauzá A, Frontera A. Bauzá A, et al. Among authors: frontera a. Molecules. 2018 Mar 19;23(3):699. doi: 10.3390/molecules23030699. Molecules. 2018. PMID: 29562728 Free PMC article.

7

Tetrel Bonding Interactions in Perchlorinated Cyclopenta- and Cyclohexatetrelanes: A Combined DFT and CSD Study.

Bauzá A, Frontera A. Bauzá A, et al. Among authors: frontera a. Molecules. 2018 Jul 19;23(7):1770. doi: 10.3390/molecules23071770. Molecules. 2018. PMID: 30029469 Free PMC article.

8

Synthesis, X-ray Characterization and Density Functional Theory (DFT) Studies of Two Polymorphs of the α,α,α,α, Isomer of Tetra-p-Iodophenyl Tetramethyl Calix[4]pyrrole: On the Importance of Halogen Bonds.

Dăbuleanu D, Bauzá A, Ortega-Castro J, Escudero-Adán EC, Ballester P, Frontera A. Dăbuleanu D, et al. Among authors: frontera a. Molecules. 2020 Jan 10;25(2):285. doi: 10.3390/molecules25020285. Molecules. 2020. PMID: 31936802 Free PMC article.

9

Covalent and Non-covalent Noble Gas Bonding Interactions in XeF _n Derivatives (n = 2-6): A Combined Theoretical and ICSD Analysis.

Gomila RM, Frontera A. Gomila RM, et al. Among authors: frontera a. Front Chem. 2020 May 6;8:395. doi: 10.3389/fchem.2020.00395. eCollection 2020. Front Chem. 2020. PMID: 32435634 Free PMC article.

10

π-Hole···d_z²[Pt^II] Interactions with Electron-Deficient Arenes Enhance the Phosphorescence of Pt^II-Based Luminophores.

Rozhkov AV, Ananyev IV, Gomila RM, Frontera A, Kukushkin VY. Rozhkov AV, et al. Among authors: frontera a. Inorg Chem. 2020 Jul 6;59(13):9308-9314. doi: 10.1021/acs.inorgchem.0c01170. Epub 2020 Jun 9. Inorg Chem. 2020. PMID: 32516531

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