| Ab-initio and DFT calculations on molecular structure, NBO, HOMO–LUMO study and a new vibrational analysis of 4-(Dimethylamino) Benzaldehyde M Rocha, A Di Santo, JM Arias, DM Gil, AB Altabef Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 136, 635-643, 2015 | 99 | 2015 |
| Quantum chemical studies on molecular structure, spectroscopic (IR, Raman, UV–Vis), NBO and Homo–Lumo analysis of 1-benzyl-3-(2-furoyl) thiourea DM Gil, MED Lestard, O Estévez-Hernández, J Duque, E Reguera Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 145, 553-562, 2015 | 70 | 2015 |
| Recurrent π–π stacking motifs in three new 4, 5-dihydropyrazolyl–thiazole–coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations M Madni, MN Ahmed, M Hafeez, M Ashfaq, MN Tahir, DM Gil, B Galmés, ... New Journal of Chemistry 44 (34), 14592-14603, 2020 | 61 | 2020 |
| Exploring weak intermolecular interactions in thiocyanate-bonded Zn (II) and Cd (II) complexes with methylimidazole: crystal structures, Hirshfeld surface analysis and … A Di Santo, H Pérez, GA Echeverría, OE Piro, RA Iglesias, RE Carbonio, ... RSC advances 8 (42), 23891-23902, 2018 | 51 | 2018 |
| Structural, vibrational and electronic characterization of 1-benzyl-3-furoyl-1-phenylthiourea: an experimental and theoretical study MED Lestard, DM Gil, O Estévez-Hernández, MF Erben, J Duque New Journal of Chemistry 39 (9), 7459-7471, 2015 | 50 | 2015 |
| Synthesis and structural characterization of perovskite YFeO 3 by thermal decomposition of a cyano complex precursor, Y [Fe (CN) 6]· 4H 2 O DM Gil, MC Navarro, MC Lagarrigue, J Guimpel, RE Carbonio, MI Gómez Journal of thermal analysis and calorimetry 103 (3), 889-896, 2011 | 44 | 2011 |
| New coordination polymers based on 2-methylimidazole and transition metal nitroprusside containing building blocks: synthesis, structure and magnetic properties A Di Santo, H Osiry, E Reguera, P Alborés, RE Carbonio, AB Altabef, ... New Journal of Chemistry 42 (2), 1347-1355, 2018 | 32 | 2018 |
| Intermolecular interactions in antipyrine-like derivatives 2-halo-N-(1, 5-dimethyl-3-oxo-2-phenyl-2, 3-dihydro-1 H-pyrazol-4-yl) benzamides: X-ray structure, Hirshfeld surface … A Saeed, A Khurshid, U Flörke, GA Echeverría, OE Piro, DM Gil, M Rocha, ... New Journal of Chemistry 44 (45), 19541-19554, 2020 | 31 | 2020 |
| Enol-imino–keto-enamine tautomerism in a diazepine derivative: how decisive are the intermolecular interactions in the equilibrium? M Rocha, DM Gil, GA Echeverría, OE Piro, JL Jios, SE Ulic The Journal of Organic Chemistry 84 (17), 11042-11053, 2019 | 31 | 2019 |
| Supramolecular architectures in luminescent Zn (II) and Cd (II) complexes containing imidazole derivatives: Crystal structures, vibrational and thermal properties, Hirshfeld … A Di Santo, GA Echeverría, OE Piro, H Pérez, AB Altabef, DM Gil Journal of Molecular Structure 1134, 492-503, 2017 | 31 | 2017 |
| Diethylaminophenyl-based Schiff base Cu (II) and V (IV) complexes: experimental and theoretical studies and cytotoxicity assays M Rocha, MC Ruiz, GA Echeverría, OE Piro, AL Di Virgilio, IE León, ... New Journal of Chemistry 43 (47), 18832-18842, 2019 | 28 | 2019 |
| Crystal engineering with pyrazolyl-thiazole derivatives: Structure-directing role of π-stacking and σ-hole interactions MN Ahmed, M Madni, S Anjum, S Andleeb, S Hameed, AM Khan, ... CrystEngComm 23 (18), 3276-3287, 2021 | 27 | 2021 |
| Biofilm inhibition by a new Mn (II) complex with sulfamethoxazole: Synthesis, spectroscopic characterization and crystal structure A Di Santo, DM Gil, F Pomiro, OE Piro, GA Echeverría, M Arena, ... Inorganica Chimica Acta 436, 16-22, 2015 | 27 | 2015 |
| Lead hexacyanoferrate (II) tetrahydrate: Crystal structure, FTIR spectroscopy and thermal decomposition studies DM Gil, M Avila, E Reguera, S Pagola, MI Gómez, RE Carbonio Polyhedron 33 (1), 450-455, 2012 | 27 | 2012 |
| X-ray characterization, Hirshfeld surface analysis, DFT calculations, in vitro and in silico lipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy … MN Ahmed, M Ghias, SWA Shah, M Shoaib, MN Tahir, M Ashfaq, ... New Journal of Chemistry 45 (42), 19928-19940, 2021 | 23 | 2021 |
| Co (II), Ni (II) and Cu (II) ternary complexes with sulfadiazine and dimethylformamide: Synthesis, spectroscopic characterization, crystallographic study and antibacterial activity M Rocha, OE Piro, GA Echeverría, AC Pastoriza, MA Sgariglia, ... Journal of Molecular Structure 1176, 605-613, 2019 | 23 | 2019 |
| Supramolecular self-assembly of a new multi-conformational Schiff base through hydrogen bonds: Crystal structure, spectroscopic and theoretical investigation M Rocha, A Di Santo, GA Echeverría, OE Piro, FD Cukiernik, SE Ulic, ... Journal of Molecular Structure 1133, 24-36, 2017 | 23 | 2017 |
| Relevant π-hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxoacetate derivatives: Hirshfeld surface analysis and DFT calculations MN Ahmed, KA Yasin, S Aziz, SU Khan, MN Tahir, DM Gil, A Frontera CrystEngComm 22 (21), 3567-3578, 2020 | 20 | 2020 |
| Crystal structure refinement, spectroscopic study and magnetic properties of yttrium hexacyanoferrate (III) DM Gil, MC Navarro, MC Lagarrigue, J Guimpel, RE Carbonio, MI Gómez Journal of Molecular Structure 1003 (1-3), 129-133, 2011 | 20 | 2011 |
| Exploration of Br⋯ O halogen bonding interactions in dinuclear vanadium (V) complexes with Schiff base ligands S Thakur, DM Gil, A Frontera, S Chattopadhyay Polyhedron 187, 114676, 2020 | 19 | 2020 |
Oscar PiroProfesor Titular Universidad Nacional de La Plata e Investigador Superior IFLP, CONICET-CCT La PlataVahvistettu sähköpostiosoite verkkotunnuksessa fisica.unlp.edu.ar