SETIFI, ZOUAOUI; CUBILLÁN, NÉSTOR; GLIDEWELL, CHRISTOPHER; GIL, DIEGO M.; TORABI, ELHAM; MORALES-TOYO, MIGUEL; DEGE, NECMI; SETIFI, FATIMA; MIRZAEI, MASOUD

A combined experimental, Hirshfeld surface analysis, and theoretical study on fac-[tri(azido)(tris(2-pyridyl)amine)iron(III)]

POLYHEDRON; Año: 2023 vol. 233

BAISHYA, TRISHNAJYOTI; GOMILA, ROSA M.; BARCELO-OLIVER, MIQUEL; GIL, DIEGO M.; BHATTACHARYYA, MANJIT K.; FRONTERA, ANTONIO

Supramolecular Assemblies in Pyridine- and Pyrazole-Based Coordination Compounds of Co(II) and Ni(II): Characterization, Hirshfeld Analysis and Theoretical Studies

Crystals; Año: 2023 vol. 13

KHURSHID, ASMA; SAEED, AAMER; SHABIR, GHULAM; GIL, DIEGO M.; BOLTE, MICHAEL; ERBEN, MAURICIO FEDERICO

Synthesis of phenazone based carboxamide under thiourea reaction conditions. Molecular and crystal structure, Hirshfeld surface analysis and intermolecular interaction energies

JOURNAL OF MOLECULAR STRUCTURE; Año: 2023 vol. 1278

GALVEZ, CAROLINA E.; PIRO, OSCAR E.; ECHEVERRÍA, GUSTAVO A.; ROBLES, NORMA LIS; LEZAMA, JOSÉ O. G.; SANKARAN, SANKARAN VENKATACHALAM; THAMOTHARAN, SUBBIAH; VILLECCO, MARGARITA B.; LOANDOS, MARÍA DEL H.; GIL, DIEGO M.

Experimental and theoretical insights into the formation of weak hydrogen bonds and H⋯H bonding interactions in the solid-state structure of two eucalyptol derivatives

NEW JOURNAL OF CHEMISTRY; Año: 2022 vol. 46 p. 5690 - 5704

GIL, DIEGO M.; ECHEVERRÍA, JORGE; ALVAREZ, SANTIAGO

Tetramethylammonium Cation: Directionality and Covalency in Its Interactions with Halide Ions

INORGANIC CHEMISTRY; Año: 2022 vol. 61 p. 9082 - 9095

SOLÓRZANO, ELIANA RITA; PASTORE, PAOLO; DOLMELLA, ALESSANDRO; CAZORLA, SILVIA; CASSARÁ, MARÍA LUCRECIA ARIAS; SANKARAN, SANKARAN VENKATACHALAM; THAMOTHARAN, SUBBIAH; GIL, DIEGO M.

Importance of R-CH3⋯O tetrel bonding and vinyl⋯aryl stacking interactions in stabilizing the crystal packing of 2’,4’-dihydroxy-3’-methoxychalcone: Exploration of antileishmanial activity and molecular docking studies

JOURNAL OF MOLECULAR STRUCTURE; Año: 2022 vol. 1265

SETIFI, ZOUAOUI; LANDEROS-RIVERA, BRUNO; CORFIELD, PETER W.R.; GIL, DIEGO M.; CONTRERAS-GARCIA, JULIA; SETIFI, FATIMA; STOECKLI-EVANS, HELEN

Importance of non-covalent interactions in a nitrile anion metal-complex based on pyridine ligands: A theoretical and experimental approach

JOURNAL OF MOLECULAR STRUCTURE; Año: 2022 vol. 1261

NASHRE-UL-ISLAM, SWAH MOHD.; BORAH, KAMALA KANTA; ÖZTÜRKKAN, FÜREYA ELIF; RAZA, MUHAMMAD ASAM; FRONTERA, ANTONIO; GIL, DIEGO M.

Antiparallel π···π and C−H···H−C contacts in a novel Zn(II) coordination solid involving π-hole tetrel bonding interactions: A combined experimental and theoretical study, Hirshfeld surface analysis, molecular docking and potential drug property

JOURNAL OF MOLECULAR STRUCTURE; Año: 2022 vol. 1268

BAZARGAN, MARYAM; MIRZAEI, MASOUD; HAMID, ABDUL SAMAD; KAFSHDAR, ZAHRA HEYDARALIZADEH; ZIAEKHODADADIAN, HODA; MOMENZADEH, ELHAM; MAGUE, JOEL T.; GIL, DIEGO M.; GOMILA, ROSA M.; FRONTERA, ANTONIO

On the importance of π-stacking interactions in the complexes of copper and zinc bearing pyridine-2,6-dicarboxylic acid N -oxide and N-donor auxiliary ligands

CRYSTENGCOMM; Lugar: CAMBRIDGE; Año: 2022 vol. 24 p. 6677 - 6687

MADNI, MURTAZA; AHMED, MUHAMMAD NAEEM; ABBASI, GHAZALA; HAMEED, SHAHID; IBRAHIM, MAHMOUD A. A.; TAHIR, MUHAMMAD N.; ASHFAQ, MUHAMMAD; GIL, DIEGO M.; GOMILA, ROSA M.; FRONTERA, ANTONIO

Synthesis and X‐ray Characterization of 4,5‐Dihydropyrazolyl‐Thiazoles Bearing a Coumarin Moiety: On the Importance of Antiparallel π‐Stacking

ChemistrySelect; Año: 2022 vol. 7

ÁLVAREZ-VIDAURRE, RAQUEL; CASTIÑEIRAS, ALFONSO; FRONTERA, ANTONIO; GARCÍA-SANTOS, ISABEL; GIL, DIEGO M.; GONZÁLEZ-PÉREZ, JOSEFA M.; NICLÓS-GUTIÉRREZ, JUAN; TORRES-IGLESIAS, ROCÍO

Weak interactions in cocrystals of isoniazid with glycolic and mandelic acids

Crystals; Año: 2021 vol. 11

DOMINGUEZ, ALFREDO NICOLÁS; EMMERT, GERMÁN EZEQUIEL; GIL, DIEGO MAURICIO; ÁLVAREZ, ROSA MARÍA SUSANA

Experimental and theoretical vibrational study of the fungicide pyraclostrobin

SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY.; Año: 2021 vol. 259

HIRAM PÉREZ; ALEJANDRO DI SANTO; OSCAR E. PIRO; GUSTAVO A. ECHEVERRIA; ARELY CANO; MARLENE GONZÁLEZ; JOELIS RODRÍGUEZ-HERNÁNDEZ; AIDA BEN ALTABEF; ANTONIO FRONTERA; DIEGO MAURICIO GIL

A first exploration of isostructurality in transition metal nitroprussides: X-ray analysis, magnetic properties and DFT calculations

CRYSTENGCOMM; Lugar: CAMBRIDGE; Año: 2021 vol. 23 p. 1158 - 1171

AHMED, MUHAMMAD NAEEM; NADEEM, KOMAL; ANDLEEB, HINA; SHEIKHI, MASOOME; MAJEED, ZAHID; SHAH, SYED WADOOD ALI; TAHIR, MUHAMMAD NAWAZ; ROCHA, MARIANA; GIL, DIEGO M.

Exploring weak intermolecular interactions in two bis-1,3,4-oxadiazoles derivatives: A combined X-ray diffraction, Hirshfeld surface analysis and theoretical studies

JOURNAL OF MOLECULAR STRUCTURE; Año: 2021 vol. 1232

SETIFI, ZOUAOUI; SETIFI, FATIMA; GLIDEWELL, CHRISTOPHER; GIL, DIEGO M.; KLETSKOV, ALEXEY V.; ECHEVERRIA, JORGE; MIRZAEI, MASOUD

An iron(II) complex of trans, trans, trans-bis(azido)bis(4-amino-3,5-bis(2-pyridyl)-1,2,4-triazole): Insight into molecular and supramolecular structures using Hirshfeld surface analysis and DFT studies

JOURNAL OF MOLECULAR STRUCTURE; Año: 2021 vol. 1235

GALVEZ, CAROLINA E.; ROCHA, MARIANA; VILLECCO, MARGARITA B.; ECHEVERRÍA, GUSTAVO A.; PIRO, OSCAR E.; LOANDOS, MARÍA DEL H.; GIL, DIEGO M.

Role of hydrogen bonds and weak non-covalent interactions in the supramolecular assembly of 9-hydroxyeucaliptol: crystal structure, Hirshfeld surface analysis, and DFT calculations

JOURNAL OF MOLECULAR MODELING - (Print); Año: 2021 vol. 27

PIÑA, JUAN J.; GIL, DIEGO M.; PÉREZ, HIRAM

Revealing new non-covalent interactions in polymorphs and hydrates of Acyclovir: Hirshfeld surface analysis, NCI plots and energetic calculations

Computational and Theoretical Chemistry; Año: 2021 vol. 1197

AHMED, MUHAMMAD NAEEM; ARIF, MUNEEBA; ANDLEEB, HINA; ALI SHAH, SYED WADOOD; ARSHAD, IFZAN; TAHIR, MUHAMMAD NAWAZ; ROCHA, MARIANA; GIL, DIEGO M.

Interplay of weak noncovalent interactions in alkoxybenzylidene derivatives of benzohydrazide and acetohydrazide: a combined experimental and theoretical investigation and lipoxygenase inhibition (LOX) studies

CRYSTENGCOMM; Año: 2021 vol. 23 p. 955 - 971

AHMED, MUHAMMAD NAEEM; MADNI, MURTAZA; ANJUM, SHAISTA; ANDLEEB, SAIQA; HAMEED, SHAHID; KHAN, ABDUL MAJEED; ASHFAQ, MUHAMMAD; TAHIR, MUHAMMAD NAWAZ; FRONTERA, ANTONIO; GIL, DIEGO MAURICIO

Crystal engineering with pyrazolyl-thiazole derivatives: Structure-directing role of π-stacking and σ-hole interactions

CRYSTENGCOMM; Lugar: CAMBRIDGE; Año: 2021

VELO-GALA, INMACULADA; BARCELÓ-OLIVER, MIQUEL; GIL, DIEGO M.; GONZÁLEZ-PÉREZ, JOSEFA M.; CASTIÑEIRAS, ALFONSO; DOMÍNGUEZ-MARTÍN, ALICIA

Deciphering the H-Bonding Preference on Nucleoside Molecular Recognition through Model Copper(II) Compounds

Pharmaceuticals; Año: 2021 vol. 14

AHMED, MUHAMMAD NAEEM; SHABBIR, SADIA; BATOOL, BAKHTAWAR; MAHMOOD, TARIQ; RASHID, UMER; YASIN, KHAWAJA ANSAR; TAHIR, MUHAMMAD NAWAZ; CASSARÁ, M. L. ARIAS; GIL, DIEGO M.

A New Insight into Non-covalent Interactions in 1,4-Disubstituted 1H-1,2,3-Triazole: Synthesis, X-ray structure, DFT calculations, in vitro Lipoxygenase Inhibition (LOX) and in silico Studies.

JOURNAL OF MOLECULAR STRUCTURE; Año: 2021 vol. 1236

CASTIÑEIRAS, ALFONSO; FERNÁNDEZ-HERMIDA, NURIA; GARCÍA-SANTOS, ISABEL; GÓMEZ-RODRÍGUEZ, LOURDES; GIL, DIEGO M.; FRONTERA, ANTONIO

Supramolecular, spectroscopic and computational analysis of weak interactions in some thiosemicarbazones derived from 5-acetylbarbituric acid

JOURNAL OF MOLECULAR STRUCTURE; Año: 2021 vol. 1245

MARIANA ROCHA; GUSTAVO A. ECHEVERRIA; OSCAR E. PIRO; JORGE L. JIOS; SONIA E. ULIC; DIEGO MAURICIO GIL

Role of fluorine-fluorine and weak intermolecular interactions in the supramolecular network of a new trifluoromethyl-1,5-benzodiazepine: Crystal structure, Hirshfeld surface analysis and theoretical study

JOURNAL OF FLUORINE CHEMISTRY; Lugar: Amsterdam; Año: 2021 vol. 242 p. 109697 - 109697

AHMED, MUHAMMAD NAEEM; GHIAS, MEHREEN; SHAH, SYED WADOOD ALI; SHOAIB, MOHAMMAD; TAHIR, MUHAMMAD NAWAZ; ASHFAQ, MUHAMMAD; IBRAHIM, MAHMOUD A. A.; ANDLEEB, HINA; GIL, DIEGO M.; FRONTERA, ANTONIO

X-ray characterization, Hirshfeld surface analysis, DFT calculations,in vitroandin silicolipoxygenase inhibition (LOX) studies of dichlorophenyl substituted 3-hydroxy-chromenones

NEW JOURNAL OF CHEMISTRY; Año: 2021 vol. 45 p. 19928 - 19940

PÉREZ, HIRAM; DI SANTO, ALEJANDRO; PIRO, OSCAR E.; ECHEVERRÍA, GUSTAVO A.; GONZÁLEZ, MARLENE; BEN ALTABEF, AIDA; GOMILA, ROSA M.; FRONTERA, ANTONIO; GIL, DIEGO M.

Novel ‘main-part’ isostructuralism in metal complexes with 1-methylimidazole: crystal structures, energy calculations and magnetic properties

DALTON TRANSACTIONS; Año: 2021 vol. 50 p. 17029 - 17040

NAEEM AHMED, MUHAMMAD; YASIN, KHAWAJA ANSAR; AZIZ, SHAHID; KHAN, SABA UROOGE; TAHIR, MUHAMMAD NAWAZ; GIL, DIEGO MAURICIO; FRONTERA, ANTONIO

Relevant π-hole tetrel bonding interactions in ethyl 2-triazolyl-2-oxoacetate derivatives: Hirshfeld surface analysis and DFT calculations

CRYSTENGCOMM; Lugar: CAMBRIDGE; Año: 2020 vol. 22 p. 3567 - 3578

KLETSKOV, ALEXEY V; ZATYKINA, ANASTASYA D; GRUDOVA, MARIYA V; SINELSHCHIKOVA, ANNA A; GRIGORIEV, MIKHAIL; ZAYTSEV, VLADIMIR P.; GIL, DIEGO M.; NOVIKOV, ROMAN A; ZUBKOV, FEDOR IVANOVICH; FRONTERA, ANTONIO

Raise the anchor! Synthesis, X-ray and NMR characterization of 1,3,5-triazinanes with an axial tert-butyl group

ORGANIC & BIOMOLECULAR CHEMISTRY; Año: 2020 vol. 18 p. 8386 - 8394

KLETSKOV, ALEXEY V.; GIL, DIEGO M.; FRONTERA, ANTONIO; ZAYTSEV, VLADIMIR P.; MERKULOVA, NATALIA L.; BELTSOVA, KSENIA R.; SINELSHCHIKOVA, ANNA A.; GRIGORIEV, MIKHAIL S.; GRUDOVA, MARIYA V.; ZUBKOV, FEDOR I.

Intramolecular sp2-sp3 Disequalization of Chemically Identical Sulfonamide Nitrogen Atoms: Single Crystal X-Ray Diffraction Characterization, Hirshfeld Surface Analysis and DFT Calculations of N-Substituted Hexahydro-1,3,5-Triazines

Crystals; Año: 2020 vol. 10 p. 369 - 369

GIL, DIEGO M.

Synthesis, molecular structure, spectroscopic and theoretical investigation of 5-chlorosalicylaldehyde-2,4-dinitrophenylhydrazone

JOURNAL OF MOLECULAR STRUCTURE; Año: 2020 vol. 1205

ROCHA, MARIANA; ECHEVERRÍA, GUSTAVO A.; PIRO, OSCAR E.; JIOS, JORGE J.; MOLINA, ROCÍO D. I.; ARENA, MARIO E.; ULIC, SONIA E.; GIL, DIEGO M.

Synthesis, Structure, and Biological Assays of Novel Trifluoromethyldiazepine-Metal Complexes

AUSTRALIAN JOURNAL OF CHEMISTRY; Año: 2020 vol. 73 p. 49 - 60

GIL, DIEGO M.; LIZARRAGA, EMILIO; ECHEVERRÍA, GUSTAVO A.; PIRO, OSCAR E.; CATALÁN, CÉSAR A.N.

On the importance of intermolecular interactions of 3-(2,3-dihydroxy-isopentyl)-4-hydroxyacetophenone: Crystal structure, spectroscopic and hirshfeld surface analysis

JOURNAL OF MOLECULAR STRUCTURE; Año: 2020 vol. 1217 p. 128393 - 128393

GIL, DIEGO M.; PÉREZ, HIRAM; ECHEVERRÍA, GUSTAVO A.; PIRO, OSCAR E.; FRONTERA, ANTONIO

Role of Imidazole Co–Ligand in the Supramolecular Network of a Co(II) Complex with Sulfadiazine: Crystal Structure, Hirshfeld Surface Analysis and Energetic Calculations

ChemistrySelect; Año: 2020 vol. 5 p. 6331 - 6338

THAKUR, SNEHASISH; GIL, DIEGO M.; FRONTERA, ANTONIO; CHATTOPADHYAY, SHOUVIK

Exploration of Br···O halogen bonding interactions in dinuclear vanadium(V) complexes with Schiff base ligands

POLYHEDRON; Año: 2020 vol. 187 p. 114676 - 114676

MADNI, MURTAZA; AHMED, MUHAMMAD NAEEM; HAFEEZ, MUHAMMAD; ASHFAQ, MUHAMMAD; TAHIR, MUHAMMAD NAWAZ; GIL, DIEGO M.; GALMES, BARTOLOME; HAMEED, SHAHID; FRONTERA, ANTONIO

Recurrent π–π stacking motifs in three new 4,5-dihydropyrazolyl-thiazole-coumarin hybrids: X-ray characterization, Hirshfeld surface analysis and DFT calculations

NEW JOURNAL OF CHEMISTRY; Lugar: CAMBRIDGE; Año: 2020 vol. 44 p. 14592 - 14603

SAEED, AAMER; KHURSHID, ASMA; FLÖRKE, ULRICH; ECHEVERRÍA, GUSTAVO A.; PIRO, OSCAR E.; GIL, DIEGO M.; ROCHA, MARIANA; FRONTERA, ANTONIO; EL-SEEDI, HESHAM R.; MUMTAZ, AMARA; ERBEN, MAURICIO F.

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 analysis and DFT calculations

NEW JOURNAL OF CHEMISTRY; Año: 2020 vol. 44 p. 19541 - 19554

GRUDOVA, MARIYA V.; GIL, DIEGO M.; KHRUSTALEV, VICTOR N.; NIKITINA, EUGENIYA V.; SINELSHCHIKOVA, ANNA A.; GRIGORIEV, MIKHAIL S.; KLETSKOV, ALEXEY V.; FRONTERA, ANTONIO; ZUBKOV, FEDOR I.

Synthesis, X-ray characterization and theoretical study of 3 a ,6:7,9 a -diepoxybenzo[ de ]isoquinoline derivatives: on the importance of F⋯O interactions

NEW JOURNAL OF CHEMISTRY; Año: 2020 vol. 44 p. 20167 - 20180

ROCHA, MARIANA; GIL, DIEGO MAURICIO; ECHEVERRÍA, GUSTAVO A.; PIRO, OSCAR E.; JIOS, JORGE LUIS; ULIC, SONIA ELIZABETH

Enol-imino-keto-enamine tautomerism in a diazepine derivative: How decisive are the intermolecular interactions in the equilibrium?

JOURNAL OF ORGANIC CHEMISTRY; Año: 2019 vol. 84 p. 11042 - 11053

ROCHA, MARIANA; PIRO, OSCAR E.; ECHEVERRÍA, GUSTAVO A.; PASTORIZA, ANA C.; SGARIGLIA, MELINA A.; SOBERÓN, JOSÉ R.; GIL, DIEGO M.

Co(II), Ni(II) and Cu(II) ternary complexes with sulfadiazine and dimethylformamide: Synthesis, spectroscopic characterization, crystallographic study and antibacterial activity

JOURNAL OF MOLECULAR STRUCTURE; Año: 2019 vol. 1176 p. 605 - 613

MARIANA ROCHA; ALEJANDRO DI SANTO; AIDA BEN ALTABEF; DIEGO MAURICIO GIL

Intermolecular interactions, spectroscopic and theoretical investigation of 4-aminoacetophenone

International Journal of Advanced Chemistry; Año: 2019 vol. 7 p. 1 - 12

ROCHA, MARIANA; RUIZ, MARÍA C.; ECHEVERRÍA, GUSTAVO A.; PIRO, OSCAR E.; DI VIRGILIO, ANA L.; LEÓN, IGNACIO E.; FRONTERA, ANTONIO; GIL, DIEGO M.

Diethylaminophenyl-based Schiff base Cu( ii ) and V( iv ) complexes: experimental and theoretical studies and cytotoxicity assays

NEW JOURNAL OF CHEMISTRY; Lugar: CAMBRIDGE; Año: 2019 vol. 43 p. 18832 - 18842

DI SANTO, ALEJANDRO; HERNÁNDEZ-SILVA, OSIRY; REGUERA, EDILSO; ALBORES, PABLO; CARBONIO, RAUL; BEN ALTABEF, AIDA; GIL, DIEGO MAURICIO

New coordination polymers based on 2-methylimidazole and transition metal nitroprusside containing building blocks: Synthesis, structure and magnetic properties.

NEW JOURNAL OF CHEMISTRY; Año: 2018 vol. 42 p. 1347 - 1355

GRAMAJO FEIJOO, M.; FERNÁNDEZ-LIENCRES, M.P.; GIL, D.M.; GÓMEZ, M.I.; BEN ALTABEF, A.; NAVARRO, A.; TUTTOLOMONDO, M.E.

A detailed study of intermolecular interactions, electronic and vibrational properties of the metal complex bis(uracilato)diammine copper(ii) dihydrate

JOURNAL OF MOLECULAR STRUCTURE; Año: 2018 vol. 1155 p. 424 - 433

DI SANTO, ALEJANDRO; PÉREZ, HIRAM; ECHEVERRÍA, GUSTAVO A.; PIRO, OSCAR E.; IGLESIAS, RODRIGO A.; CARBONIO, RAÚL E.; BEN ALTABEF, AIDA; GIL, DIEGO M.

Exploring weak intermolecular interactions in thiocyanate-bonded Zn( ii ) and Cd( ii ) complexes with methylimidazole: crystal structures, Hirshfeld surface analysis and luminescence properties

RSC Advances; Año: 2018 vol. 8 p. 23891 - 23902

ROCHA, MARIANA; GIL, DIEGO M.; ECHEVERRÍA, GUSTAVO A.; PIRO, OSCAR E.; JIOS, JORGE L.; ULIC, SONIA E.

A new perfluoromethyl aminoenone derivative and the role of the hydrogen bonding in the intra- and intermolecular interactions

JOURNAL OF FLUORINE CHEMISTRY; Año: 2018 vol. 208 p. 36 - 47

ROCHA, MARIANA; DI SANTO, A.; ECHEVERRÍA, G.A.; PIRO, O.E.; CUKIERNIK, F.D.; ULIC, S.E.; GIL, DIEGO M.

Supramolecular self-assembly of a new multi-conformational Schiff base through hydrogen bonds: Crystal structure, spectroscopic and theoretical investigation

JOURNAL OF MOLECULAR STRUCTURE; Año: 2017 vol. 1133 p. 24 - 36

GIL, DIEGO M.; SALOMON, FERNANDO F.; ECHEVERRÍA, G.A.; PIRO, OSCAR E.; PÉREZ, HIRAM; ALTABEF, AIDA BEN

A detailed exploration of intermolecular interactions in 4-(4-dimethylaminobenzylideneamino)-N-(5-methyl-3-isoxazolyl)benzenesulfonamide and related Schiff bases: Crystal structure, spectral studies, DFT methods, Pixel energies and Hirshfeld surface analysis

SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY.; Año: 2017 vol. 185 p. 286 - 297

GIL, DIEGO M.; LIZARRAGA, E.; ECHEVERRÍA, G.A.; PIRO, O.E.; CATALÁN, C.A.N.; BEN ALTABEF, A.

A combined experimental and theoretical study of the supramolecular self-assembly of the natural benzopyran 2,2-dimethyl-3-hydroxy-6-acetyl-chromane and its isomeric benzofuran 10,11-dihydro-10-hydroxytremetone

JOURNAL OF MOLECULAR STRUCTURE; Año: 2017 vol. 1146 p. 164 - 178

DI SANTO, ALEJANDRO; ECHEVERRÍA, GUSTAVO A.; PIRO, OSCAR E.; PÉREZ, HIRAM; BEN ALTABEF, AIDA; GIL, DIEGO M.

Supramolecular architectures in luminescent Zn(II) and Cd(II) complexes containing imidazole derivatives: Crystal structures, vibrational and thermal properties, Hirshfeld surface analysis and electrostatic potentials

JOURNAL OF MOLECULAR STRUCTURE; Año: 2017 vol. 1134 p. 492 - 503

POMIRO, FERNANDO; GIL, DIEGO M.; NASSIF, VIVIAN; PAESANO, ANDREA; GÓMEZ, MARÍA I.; GUIMPEL, JULIO; SÁNCHEZ, RODOLFO D.; CARBONIO, RAÚL E.

Weak ferromagnetism and superparamagnetic clusters coexistence in YFe1−xCoxO3 (0 ≤ x ≤ 1) perovskites

MATERIALS RESEARCH BULLETIN; Año: 2017 vol. 94 p. 472 - 482

OSVALDO ESTÉVEZ-HERNÁNDEZ; JULIO DUQUE RODRÍGUEZ; EDILSO REGUERA; JOELIS RODRÍGUEZ-HERNÁNDEZ; DIEGO MAURICIO GIL; M.E. DEFONSI LESTARD

Refinamiento simulado a partir de patrones de difracción de rayos-X de polvosy cálculos químico-cuánticos como herramientas para el estudio estructural y espectroscópico de derivados de 1-(2furoil)tioureay sus complejos con Hg2+

Anales de la Academia de Ciencias de Cuba; Año: 2016 vol. 6 p. 466 - 470

DIEGO MAURICIO GIL; MARÍA EUGENIA TUTTOLOMONDO; SEBASTIAN BLOMEYER; CHRISTIAN G. REUTER; NORBERT W. MITZEL; AIDA BEN ALTABEF

Gas-phase structure of 2,2,2-trichloroethyl chloroformate studied by electron diffraction and quantum-chemical calculations

PHYSICAL CHEMISTRY CHEMICAL PHYSICS; Lugar: CAMBRIDGE; Año: 2016 vol. 18 p. 393 - 402

DIEGO MAURICIO GIL; HERNÁNDEZ OSIRY; FERNANDO POMIRO; E.L. VARETTI; RAÚL ERNESTO CARBONIO; ALEJANDRO RODRÍGUEZ; AIDA BEN ALTABEF; EDILSO REGUERA

Layered vanadyl (IV) nitroprusside: Magnetic interaction through a network of hydrogen bonds

JOURNAL OF SOLID STATE CHEMISTRY; Año: 2016 vol. 239 p. 159 - 164

SEBASTIAN BLOMEYER; CHRISTIAN G. REUTER; DIEGO MAURICIO GIL; MARÍA EUGENIA TUTTOLOMONDO; AIDA BEN ALTABEF; NORBERT W. MITZEL

Structure and bonding of 2,2,2-trichloroethylacetate: An experimental gas phase and computational study

Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences; Año: 2016 vol. 71 p. 1253 - 1260

DIEGO MAURICIO GIL; HERNÁNDEZ OSIRY; ALEJANDRO RODRÍGUEZ; ANA ADELA LEMUS SANTANA; RAÚL ERNESTO CARBONIO; EDILSO REGUERA

Layered Transition Metal Nitroprussides ? Their Preparation, Crystal Structure, and Magnetic Properties

EUROPEAN JOURNAL OF INORGANIC CHEMISTRY; Lugar: Weinheim; Año: 2016 p. 1690 - 1696

OSVALDO ESTÉVEZ-HERNÁNDEZ; FERNANDO SALOMÓN; JULIO DUQUE; JOELIS RODRÍGUEZ-HERNÁNDEZ; DIEGO MAURICIO GIL

SYNTHESIS, STRUCTURAL AND SPECTROSCOPIC STUDIES OF 1-(2-FUROYL)-3-PHENYLTHIOUREA: A THEORETICAL AND EXPERIMENTAL APPROACH

JOURNAL OF SULFUR CHEMISTRY; Lugar: Londres; Año: 2016 vol. 37 p. 555 - 579

MARÍA ELIANA DEFONSI LESTARD; DIEGO MAURICIO GIL; OSVALDO ESTÉVEZ-HERNÁNDEZ; MAURICIO F. ERBEN; JULIO DUQUE

Structural, vibrational and electronic characterization of 1-benzyl-3-furoyl-1-phenylthiourea: an experimental and theoretical study

NEW JOURNAL OF CHEMISTRY; Lugar: CAMBRIDGE; Año: 2015 vol. 39 p. 7459 - 7471

MARIANA ROCHA; ALEJANDRO DI SANTO; JUAN MARCELO ARIAS; DIEGO MAURICIO GIL; AIDA BEN ALTABEF

Ab-initio and DFT calculations on molecular structure, NBO, HOMO-LUMO study and a new vibrational analysis of 4-(Dimethylamino) Benzaldehyde

SPECTROCHIMICA ACTA A: MOLECULAR AND BIOMOLECULAR SPECTROSCOPY; Lugar: Amsterdam; Año: 2015 vol. 136 p. 635 - 643

JORGE E. GALVÁN; DIEGO MAURICIO GIL; HERNÁN E. LANÚS; AIDA BEN ALTABEF

Theoretical study on the molecular structure and vibrational properties, NBO and HOMO-LUMO analysis of the POX3 (X=F, Cl, Br, I) series of molecules

JOURNAL OF MOLECULAR STRUCTURE; Lugar: Amsterdam; Año: 2015 vol. 1081 p. 536 - 542

DIEGO MAURICIO GIL; RAÚL ERNESTO CARBONIO; MARÍA INÉS GÓMEZ

Synthesis, DFT calculations of structure, vibrational and thermal decomposition studies of the metal complex Pb[Mn(C3H2O4)2(H2O)2]

SPECTROCHIMICA ACTA A: MOLECULAR AND BIOMOLECULAR SPECTROSCOPY; Lugar: Amsterdam; Año: 2015 vol. 141 p. 233 - 238

DIEGO MAURICIO GIL; M.E. DEFONSI LESTARD; O. ESTÉVEZ-HERNÁNDEZ; J. DUQUE; E. REGUERA

QUANTUM CHEMICAL STUDIES ON MOLECULAR STRUCTURE, SPECTROSCOPIC (IR, RAMAN, UV-VIS), NBO AND HOMO-LUMO ANALYSIS OF 1-BENZYL-3-(2-FUROYL) THIOUREA

SPECTROCHIMICA ACTA A: MOLECULAR AND BIOMOLECULAR SPECTROSCOPY; Lugar: Amsterdam; Año: 2015 vol. 145 p. 553 - 562

DIEGO MAURICIO GIL; MARÍA EUGENIA TUTTOLOMONDO; AIDA BEN ALTABEF

Vibrational studies (FTIR and Raman), conformational analysis, NBO, HOMO-LUMO and reactivity descriptors of S ? methyl thiobutanoate, CH3CH2CH2C(O)SCH3

SPECTROCHIMICA ACTA A: MOLECULAR AND BIOMOLECULAR SPECTROSCOPY; Lugar: Amsterdam; Año: 2015 vol. 149 p. 408 - 418

ALEJANDRO DI SANTO; DIEGO MAURICIO GIL; FERNANDO POMIRO; OSCAR E. PIRO; GUSTAVO A. ECHEVERRIA; MARIO ARENA; CONSTANZA LUCIARDI; RAÚL ERNESTO CARBONIO; AIDA BEN ALTABEF

Biofilm inhibition by a new Mn(II) complex with sulfamethoxazole: Synthesis, spectroscopic characterization and crystal structure

INORGANICA CHIMICA ACTA; Lugar: Amsterdam; Año: 2015 vol. 436 p. 16 - 22

EMILIO LIZARRAGA; DIEGO MAURICIO GIL; GUSTAVO A. ECHEVERRIA; OSCAR E. PIRO; CÉSAR A.N. CATALÁN; AIDA BEN ALTABEF

Synthesis, crystal structure, conformational and vibrational properties of 6-acetyl-2,2-dimethyl-chromane

SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY.; Lugar: Amsterdam; Año: 2014 vol. 127 p. 74 - 84

DIEGO MAURICIO GIL; MARÍA EUGENIA TUTTOLOMONDO; AIDA BEN ALTABEF

DFT CALCULATIONS OF STRUCTURE AND VIBRATIONAL PROPERTIES OF 2,2,2-TRICHLOROETHYLACETATE, CH3CO2CH2CCl3

SPECTROCHIMICA ACTA A: MOLECULAR AND BIOMOLECULAR SPECTROSCOPY; Lugar: Amsterdam; Año: 2014 vol. 123 p. 290 - 297

DIEGO MAURICIO GIL; ALEJANDRO DI SANTO; FERNANDO POMIRO; GUSTAVO A. ECHEVERRIA; OSCAR E. PIRO; RAÚL ERNESTO CARBONIO; AIDA BEN ALTABEF

Crystal Structure, Vibrational and Thermal Behavior of Ba(NH4)[Co(CN)6]·4H2O: A New Precursor for The Synthesis of Hexagonal BaCoO3

POLYHEDRON; Lugar: Amsterdam; Año: 2014 vol. 73 p. 51 - 58

DIEGO MAURICIO GIL; RAÚL ERNESTO CARBONIO; MARÍA INÉS GÓMEZ

CRYSTAL STRUCTURE REFINEMENT AND VIBRATIONAL ANALYSIS OF Y[Co(CN)6]·4H2O AND ITS THERMAL DECOMPOSITION PRODUCTS

JOURNAL OF MOLECULAR STRUCTURE; Lugar: Amsterdam; Año: 2013 vol. 1041 p. 23 - 28

DIEGO MAURICIO GIL; GLADYS NIEVA; DIEGO G. FRANCO; MARÍA INÉS GÓMEZ; RAÚL ERNESTO CARBONIO

LEAD NITROPRUSSIDE: A NEW PRECURSOR FOR THE SYNTHESIS OF THE MULTIFERROIC Pb2Fe2O5, AN ANION DEFFICIENT PEROVSKITE

MATERIALS CHEMISTRY AND PHYSICS; Lugar: Amsterdam; Año: 2013 vol. 141 p. 355 - 361

DIEGO MAURICIO GIL; OSCAR E. PIRO; GUSTAVO A. ECHEVERRIA; MARÍA EUGENIA TUTTOLOMONDO; AIDA BEN ALTABEF

LAYERED CRYSTAL STRUCTURE, CONFORMATIONAL AND VIBRATIONAL PROPERTIES OF 2,2,2-TRICHLOROETHOXYSULFONAMIDE: AN EXPERIMENTAL AND THEORETICAL STUDY

SPECTROCHIMICA ACTA. PART A, MOLECULAR AND BIOMOLECULAR SPECTROSCOPY.; Lugar: Amsterdam; Año: 2013 vol. 116 p. 122 - 131

DIEGO MAURICIO GIL; JULIO GUIMPEL; ANDREA PAESANO JR.; RAÚL ERNESTO CARBONIO; MARÍA INÉS GÓMEZ

Y[Fe1-xCox(CN)6]?4H2O (0 ≤ x ≤ 1) SOLID SOLUTIONS : SYNTHESIS, CRYSTAL STRUCTURE, THERMAL DECOMPOSITION AND SPECTROSCOPIC AND MAGNETIC PROPERTIES

JOURNAL OF MOLECULAR STRUCTURE; Año: 2012 vol. 1015 p. 112 - 117

DIEGO MAURICIO GIL; MANUEL AVILA; EDILSO REGUERA; SILVINA PAGOLA; MARÍA INÉS GÓMEZ; RAÚL ERNESTO CARBONIO

Lead hexacyanoferrate (II) tetrahydrate: Crystal structure, FTIR spectroscopy and thermal decomposition studies

POLYHEDRON; Año: 2012 vol. 33 p. 450 - 455

DIEGO MAURICIO GIL; MARÍA CAROLINA NAVARRO; MARÍA CRISTINA LAGARRIGUE; JULIO GUIMPEL; RAÚL ERNESTO CARBONIO; MARÍA INÉS GÓMEZ

Crystal structure refinement, spectroscopic study and magnetic properties of yttrium hexacyanoferrate (III)

JOURNAL OF MOLECULAR STRUCTURE; Año: 2011 vol. 1003 p. 129 - 133

DIEGO MAURICIO GIL; MARÍA CAROLINA NAVARRO; MARIA CRISTINA LAGARRIGUE; JULIO GUIMPEL; RAÚL ERNESTO CARBONIO; MARÍA INÉS GÓMEZ

Synthesis and structural characterization of perovskite YFeO3 by thermal decomposition of a cyano complex precursor, Y[Fe(CN)6].4H2O

JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY; Lugar: Budapest; Año: 2011 vol. 103 p. 889 - 896

DIEGO MAURICIO GIL; RAÚL ERNESTO CARBONIO; MARÍA INÉS GÓMEZ

SYNTHESIS OF Pb2Fe2O5 BY THERMAL DECOMPOSITION OF Pb2[Fe(CN)6].4H2O

JOURNAL OF THE CHILEAN CHEMICAL SOCIETY; Año: 2010 vol. 55 p. 189 - 192